Structure database (LMSD)

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LM IDLMPK13090004
Common Name4,4'-dihydroxy-α-methylstilbene
Systematic Name-
Synonyms-
Exact Mass
226.0994 (neutral)    Calculate m/z:
FormulaC15H14O2
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5282240
KEGG IDC13632
InChIKeyPMNXCGMIMVLCRP-ZHACJKMWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,
1H3/b11-10+
SMILESC1(O)=CC=C(/C(/C)=C/C2=CC=C(O)C=C2)C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
220.64Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.66Molar
Refractivity
69.76