[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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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).