1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol

C14H13ClO — CID 70055728

IUPAC1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H13ClO/c15-14(16)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyXXKPRCBUDLMJIS-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.51
Rot. Bonds2

About 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol

1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 70055728) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
PubChem CID70055728
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(Cl)C=CC(C=Cc2ccccc2)=CC1
InChIInChI=1S/C14H13ClO/c15-14(16)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10,16H,11H2
InChIKeyXXKPRCBUDLMJIS-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dichloro-2-(2-phenylethenyl)cyclohexa-1,3-diene
CID 152771326
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-amine
CID 57353442
trihydroxy-[4-(2-phenylethenyl)-1-trihydroxysilylcyclohexa-2,4-dien-1-yl]silane
CID 70014607
2,5,5-tris(2-phenylethenyl)cyclohexa-1,3-diene
CID 154438917
1-N',1-N'-dimethyl-4-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1,1-diamine
CID 174761842
[4-(2-phenylethenyl)-1-prop-2-enoyloxycyclohexa-2,4-dien-1-yl] prop-2-enoate
CID 70209671
1-acetyloxy-4-(2-phenylethenyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 70447229
N,N-diphenyl-1,4-bis[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 70267811
N,N-dimethyl-1-nitro-4-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-amine
CID 87199171
1-[3-(oxiran-2-ylmethoxy)propyl]-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol
CID 174567840
1-[1-methyl-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-yl]-2,3-dihydro-1H-isoindole
CID 70039817
4-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 67648697

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol (CID 70055728) is 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol is OC1(Cl)C=CC(C=Cc2ccccc2)=CC1.
What is the InChIKey of 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is XXKPRCBUDLMJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c15-14(16)10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-10,16H,11H2.
What are the key properties of 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol?
1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 232.71 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-phenylethenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70055728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).