Structure Database (LMSD)
Common Name
phyllohydroquinone
Systematic Name
2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol
Synonyms
- Phytonadiol
- Vitamin K hydroquinone
- vitamin K1 hydroquinone
3D model of phyllohydroquinone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BUFJIHPUGZHTHL-NKFFZRIASA-N
InChi (Click to copy)
InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
SMILES (Click to copy)
C1(C(O)=C2C=CC=CC2=C(O)C=1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
2
Aromatic Rings
2
Rotatable Bonds
14
Van der Waals Molecular Volume
500.08
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
9.49
Molar Refractivity
144.19
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Updated at
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