1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol

C18H17ClO — CID 132573540

IUPAC1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol
SMILESCCC(=C=CC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H17ClO/c1-2-14(15-6-4-3-5-7-15)10-13-18(20)16-8-11-17(19)12-9-16/h3-9,11-13,18,20H,2H2,1H3
InChIKeyOLOWEWFLNUYEGB-UHFFFAOYSA-N
MW284.79 g/mol
LogP5.02
Rot. Bonds4

About 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol

1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol (PubChem CID 132573540) has the molecular formula C18H17ClO and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol
PubChem CID132573540
Molecular FormulaC18H17ClO
Molecular Weight284.79 g/mol
Exact Mass284.10
IUPAC Name1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol
SMILESCCC(=C=CC(O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C18H17ClO/c1-2-14(15-6-4-3-5-7-15)10-13-18(20)16-8-11-17(19)12-9-16/h3-9,11-13,18,20H,2H2,1H3
InChIKeyOLOWEWFLNUYEGB-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
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3-(4-chlorophenyl)-1-phenylpentan-1-one
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1-phenylhepta-2,3-dien-1-ol
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3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(E,1S)-1-(4-chlorophenyl)-3-methyl-5-phenylpent-2-en-1-ol
CID 122212959
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
3-amino-1-(4-chlorophenyl)-1-phenylpropan-2-ol
CID 82090652
1-chloro-4-[(E)-1-phenylbut-1-en-2-yl]benzene
CID 138980853
ethyl 3-(4-chlorophenyl)-5-oxo-5-phenylpentanoate
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1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol (CID 132573540) is 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol is CCC(=C=CC(O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol?
The InChIKey is OLOWEWFLNUYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO/c1-2-14(15-6-4-3-5-7-15)10-13-18(20)16-8-11-17(19)12-9-16/h3-9,11-13,18,20H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol?
1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol has a molecular weight of 284.79 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-phenylhexa-2,3-dien-1-ol is sourced from PubChem (CID 132573540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).