2-Chloro-4-Phenylphenol

C12H9ClO — CID 7074

IUPAC2-chloro-4-phenylphenol
SMILESC1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl
InChIInChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKeyBZWMYDJJDBFAPE-UHFFFAOYSA-N
MW204.65 g/mol
LogP4.30
Rot. Bonds1

About 2-Chloro-4-Phenylphenol

2-Chloro-4-Phenylphenol (PubChem CID 7074) has the molecular formula C12H9ClO and a molecular weight of 204.65 g/mol. Its IUPAC name is 2-chloro-4-phenylphenol.

Molecular Properties

Compound Name2-Chloro-4-Phenylphenol
PubChem CID7074
Molecular FormulaC12H9ClO
Molecular Weight204.65 g/mol
Exact Mass204.03
IUPAC Name2-chloro-4-phenylphenol
SMILESC1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl
InChIInChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKeyBZWMYDJJDBFAPE-UHFFFAOYSA-N
XLogP4.30
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-Chloro-4-Phenylphenol?
The IUPAC name of 2-Chloro-4-Phenylphenol (CID 7074) is 2-chloro-4-phenylphenol.
What is the SMILES notation for 2-Chloro-4-Phenylphenol?
The canonical SMILES for 2-Chloro-4-Phenylphenol is C1=CC=C(C=C1)C2=CC(=C(C=C2)O)Cl.
What is the InChIKey of 2-Chloro-4-Phenylphenol?
The InChIKey is BZWMYDJJDBFAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 2-Chloro-4-Phenylphenol?
2-Chloro-4-Phenylphenol has a molecular weight of 204.65 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-4-Phenylphenol is sourced from PubChem (CID 7074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).