1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol

C22H24O — CID 23267885

IUPAC1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol
SMILESCC(=C=C(c1ccccc1)c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C22H24O/c1-18(22(23)15-9-4-10-16-22)17-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,23H,4,9-10,15-16H2,1H3
InChIKeyZDRLTHSQRDQQLR-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.36
Rot. Bonds3

About 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol

1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol (PubChem CID 23267885) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol
PubChem CID23267885
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol
SMILESCC(=C=C(c1ccccc1)c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C22H24O/c1-18(22(23)15-9-4-10-16-22)17-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,23H,4,9-10,15-16H2,1H3
InChIKeyZDRLTHSQRDQQLR-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
1-[(E)-N-hydroxy-C-phenylcarbonimidoyl]cyclohexan-1-ol
CID 6372833
hydrazine;(1-hydroxycyclohexyl)-phenylmethanone
CID 161340998
2-(2,2-diphenylethenylidene)-1-phenylspiro[2.5]octane
CID 71425206
1-(1-phenylpropa-1,2-dienyl)cyclobutan-1-ol
CID 175132000
1-[(E)-1-phenyloct-1-enyl]cyclohexan-1-ol
CID 14571870
ethane;1-phenylcyclohexan-1-ol
CID 144640846
(3-ethyl-1-phenylpenta-1,2-dienyl)benzene
CID 134977921
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
1-[4-(1-hydroxycyclohexanecarbonyl)phenyl]ethanone
CID 175084066
N-[(E)-[(1-hydroxycyclohexyl)-phenylmethylidene]amino]benzamide
CID 6393534
(1-benzoylcyclooctyl)-phenylmethanone
CID 175521310

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol (CID 23267885) is 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol is CC(=C=C(c1ccccc1)c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol?
The InChIKey is ZDRLTHSQRDQQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-18(22(23)15-9-4-10-16-22)17-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,23H,4,9-10,15-16H2,1H3.
What are the key properties of 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol?
1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol has a molecular weight of 304.43 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbuta-2,3-dien-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 23267885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).