3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol

C29H26O3 — CID 159541553

IUPAC3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
SMILESCc1cccc(/C=C/c2cccc(O)c2)c1.Oc1cccc(/C=C\c2cccc(O)c2)c1
InChIInChI=1S/C15H14O.C14H12O2/c1-12-4-2-5-13(10-12)8-9-14-6-3-7-15(16)11-14;15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h2-11,16H,1H3;1-10,15-16H/b9-8+;8-7-
InChIKeyMEGULBLIWFACCU-SCEHDZGVSA-N
MW422.52 g/mol
LogP7.14
Rot. Bonds4

About 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol

3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol (PubChem CID 159541553) has the molecular formula C29H26O3 and a molecular weight of 422.52 g/mol. Its IUPAC name is 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
PubChem CID159541553
Molecular FormulaC29H26O3
Molecular Weight422.52 g/mol
Exact Mass422.19
IUPAC Name3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
SMILESCc1cccc(/C=C/c2cccc(O)c2)c1.Oc1cccc(/C=C\c2cccc(O)c2)c1
InChIInChI=1S/C15H14O.C14H12O2/c1-12-4-2-5-13(10-12)8-9-14-6-3-7-15(16)11-14;15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h2-11,16H,1H3;1-10,15-16H/b9-8+;8-7-
InChIKeyMEGULBLIWFACCU-SCEHDZGVSA-N
XLogP7.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 57.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
3-methylphenol
CID 67925627
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
3-[(E)-2-bromoethenyl]phenol
CID 74892827
(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
CID 97304849
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
CID 67605326
sodium 3-methylphenol
CID 21278687
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(E)-1-(2-hydroxy-4-methylphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 100958822
3-(2-methoxyethenyl)phenol
CID 175460679
carbanide;3-methylphenol;yttrium
CID 161376652
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol?
The IUPAC name of 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol (CID 159541553) is 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol.
What is the SMILES notation for 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol?
The canonical SMILES for 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol is Cc1cccc(/C=C/c2cccc(O)c2)c1.Oc1cccc(/C=C\c2cccc(O)c2)c1.
What is the InChIKey of 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol?
The InChIKey is MEGULBLIWFACCU-SCEHDZGVSA-N. The full InChI is InChI=1S/C15H14O.C14H12O2/c1-12-4-2-5-13(10-12)8-9-14-6-3-7-15(16)11-14;15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h2-11,16H,1H3;1-10,15-16H/b9-8+;8-7-.
What are the key properties of 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol?
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol has a molecular weight of 422.52 g/mol, XLogP of 7.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol is sourced from PubChem (CID 159541553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).