4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol

C23H22O2 — CID 46867451

IUPAC4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
SMILESCOc1ccc(/C=C(\Cc2ccccc2)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O2/c1-25-23-13-9-20(10-14-23)17-21(15-18-5-3-2-4-6-18)16-19-7-11-22(24)12-8-19/h2-14,17,24H,15-16H2,1H3/b21-17+
InChIKeyPCVQRXVUNUKOMQ-HEHNFIMWSA-N
MW330.43 g/mol
LogP5.27
Rot. Bonds6

About 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol

4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol (PubChem CID 46867451) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
PubChem CID46867451
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
SMILESCOc1ccc(/C=C(\Cc2ccccc2)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C23H22O2/c1-25-23-13-9-20(10-14-23)17-21(15-18-5-3-2-4-6-18)16-19-7-11-22(24)12-8-19/h2-14,17,24H,15-16H2,1H3/b21-17+
InChIKeyPCVQRXVUNUKOMQ-HEHNFIMWSA-N
XLogP5.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-fluoro-4-(4-methoxyphenyl)-1-phenylbut-3-en-2-one
CID 11701747
[1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-3-methylazanidylbuta-1,3-dien-2-yl]-methylazanide
CID 163133886
methyl (E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enedithioate
CID 11012485
benzene-1,2-diol;4-methoxyphenol
CID 70292826
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
1-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethanethione
CID 135990626
2-[(4-hydroxyphenyl)methylidene]-3-[(4-methoxyphenyl)methylidene]butanedinitrile
CID 85101046
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
methane;4-methoxyphenol
CID 159494332
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-[2-chloro-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]but-2-enyl]-4-methoxybenzene;1,2-diphenylethenylbenzene
CID 159192069

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol?
The IUPAC name of 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol (CID 46867451) is 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol.
What is the SMILES notation for 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol?
The canonical SMILES for 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol is COc1ccc(/C=C(\Cc2ccccc2)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol?
The InChIKey is PCVQRXVUNUKOMQ-HEHNFIMWSA-N. The full InChI is InChI=1S/C23H22O2/c1-25-23-13-9-20(10-14-23)17-21(15-18-5-3-2-4-6-18)16-19-7-11-22(24)12-8-19/h2-14,17,24H,15-16H2,1H3/b21-17+.
What are the key properties of 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol?
4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol has a molecular weight of 330.43 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol is sourced from PubChem (CID 46867451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).