Structure Database (LMSD)
Common Name
Carvacrol
Systematic Name
Synonyms
3D model of Carvacrol
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
Level 4 Class
String Representations
InChiKey (Click to copy)
RECUKUPTGUEGMW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
SMILES (Click to copy)
C1(C(C)C)=CC=C(C)C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
1
Aromatic Rings
1
Rotatable Bonds
1
Van der Waals Molecular Volume
159.17
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.82
Molar Refractivity
46.93
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Created at
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Updated at
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