5-chloro-1-phenylcyclohexa-2,4-dien-1-ol

C12H11ClO — CID 151690344

IUPAC5-chloro-1-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(c2ccccc2)C=CC=C(Cl)C1
InChIInChI=1S/C12H11ClO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyRCKQOLLJGWEKON-UHFFFAOYSA-N
MW206.67 g/mol
LogP2.96
Rot. Bonds1

About 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol

5-chloro-1-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 151690344) has the molecular formula C12H11ClO and a molecular weight of 206.67 g/mol. Its IUPAC name is 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-chloro-1-phenylcyclohexa-2,4-dien-1-ol
PubChem CID151690344
Molecular FormulaC12H11ClO
Molecular Weight206.67 g/mol
Exact Mass206.05
IUPAC Name5-chloro-1-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(c2ccccc2)C=CC=C(Cl)C1
InChIInChI=1S/C12H11ClO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-8,14H,9H2
InChIKeyRCKQOLLJGWEKON-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol (CID 151690344) is 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol is OC1(c2ccccc2)C=CC=C(Cl)C1.
What is the InChIKey of 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is RCKQOLLJGWEKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-8,14H,9H2.
What are the key properties of 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol?
5-chloro-1-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 206.67 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151690344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).