4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol

C30H24O — CID 132543149

IUPAC4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol
SMILESCC1(O)C(=C(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H24O/c1-30(31)28(25-20-12-5-13-21-25)27(24-18-10-4-11-19-24)29(30)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21,31H,1H3
InChIKeyZBNHJVQXRDNYRV-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.86
Rot. Bonds4

About 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol

4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol (PubChem CID 132543149) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol.

Molecular Properties

Compound Name4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol
PubChem CID132543149
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol
SMILESCC1(O)C(=C(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H24O/c1-30(31)28(25-20-12-5-13-21-25)27(24-18-10-4-11-19-24)29(30)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21,31H,1H3
InChIKeyZBNHJVQXRDNYRV-UHFFFAOYSA-N
XLogP6.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.86
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

[(1S)-4-benzhydrylidene-1-ethoxy-2,3-diphenylcyclobut-2-en-1-yl]benzene
CID 95242484
2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol
CID 164887740
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
1-methyl-2,3-diphenylcyclopenta[a]naphthalen-1-ol
CID 56958688
(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran
CID 11191718
5-hydroxy-3,5-dimethyl-4-phenylfuran-2-one
CID 15647321
(4R,5S)-4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 70037236
2-(3,3-dimethyl-2-phenylcyclopropen-1-yl)ethanol
CID 130126841
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
1-(iodomethyl)-1-methyl-2,3-diphenylindene
CID 102347889
15-benzhydrylidene-1,8-dimethyl-4,5-diphenylpentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraen-16-one
CID 22295690
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol?
The IUPAC name of 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol (CID 132543149) is 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol.
What is the SMILES notation for 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol?
The canonical SMILES for 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol is CC1(O)C(=C(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol?
The InChIKey is ZBNHJVQXRDNYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c1-30(31)28(25-20-12-5-13-21-25)27(24-18-10-4-11-19-24)29(30)26(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h2-21,31H,1H3.
What are the key properties of 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol?
4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol has a molecular weight of 400.52 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-methyl-2,3-diphenylcyclobut-2-en-1-ol is sourced from PubChem (CID 132543149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).