[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol

C23H22O — CID 145435859

IUPAC[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol
SMILESCc1cc(CO)ccc1/C=C/c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C23H22O/c1-17-15-19(16-24)11-12-20(17)13-14-21-9-6-10-23(18(21)2)22-7-4-3-5-8-22/h3-15,24H,16H2,1-2H3/b14-13+
InChIKeyXSCMGAHKKVEPAN-BUHFOSPRSA-N
MW314.43 g/mol
LogP5.63
Rot. Bonds4

About [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol

[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol (PubChem CID 145435859) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol
PubChem CID145435859
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol
SMILESCc1cc(CO)ccc1/C=C/c1cccc(-c2ccccc2)c1C
InChIInChI=1S/C23H22O/c1-17-15-19(16-24)11-12-20(17)13-14-21-9-6-10-23(18(21)2)22-7-4-3-5-8-22/h3-15,24H,16H2,1-2H3/b14-13+
InChIKeyXSCMGAHKKVEPAN-BUHFOSPRSA-N
XLogP5.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-methyl-4-[2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 139558218
(2R)-2-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138606928
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
N-[[2,5-dimethyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methyl]-N-propylpropan-1-amine
CID 170028344
(3S)-3-(hydroxymethyl)-3-methyl-5-[4-methyl-3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]pentan-2-one
CID 167592172
3-[4-(hydroxymethyl)-2-methylphenyl]prop-2-enal
CID 169459014
2-ethyl-1,3-dimethoxy-5-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]benzene
CID 145435822
6-[[3-chloro-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]hexane-1,3-diol
CID 138632553
[4-(4-bromobut-1-enyl)-3-methylphenyl]methanol
CID 170497372
[4-(4-chlorobut-1-enyl)-3-methylphenyl]methanol
CID 170499067
chloro-[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methanediol
CID 167005642
(2S)-2-[[dideuterio-[3-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methyl]amino]-3-hydroxy-2-methylpropanoic acid
CID 169298549

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol?
The IUPAC name of [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol (CID 145435859) is [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol.
What is the SMILES notation for [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol?
The canonical SMILES for [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol is Cc1cc(CO)ccc1/C=C/c1cccc(-c2ccccc2)c1C.
What is the InChIKey of [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol?
The InChIKey is XSCMGAHKKVEPAN-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H22O/c1-17-15-19(16-24)11-12-20(17)13-14-21-9-6-10-23(18(21)2)22-7-4-3-5-8-22/h3-15,24H,16H2,1-2H3/b14-13+.
What are the key properties of [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol?
[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol has a molecular weight of 314.43 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methanol is sourced from PubChem (CID 145435859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).