4-(4-hydroxyphenyl)benzoyl chloride

C13H9ClO2 — CID 87880031

IUPAC4-(4-hydroxyphenyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9ClO2/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(15)8-6-10/h1-8,15H
InChIKeyAQYHKZNEOBDGGF-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.44
Rot. Bonds2

About 4-(4-hydroxyphenyl)benzoyl chloride

4-(4-hydroxyphenyl)benzoyl chloride (PubChem CID 87880031) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)benzoyl chloride.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)benzoyl chloride
PubChem CID87880031
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name4-(4-hydroxyphenyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H9ClO2/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(15)8-6-10/h1-8,15H
InChIKeyAQYHKZNEOBDGGF-UHFFFAOYSA-N
XLogP3.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1-chloroethenyl)phenyl]benzoyl chloride
CID 145140793
benzene-1,4-dicarbonyl chloride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 86756476
4-(4-formylphenyl)benzoyl chloride
CID 89223332
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-methylbenzoyl chloride
CID 13405
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322
benzene-1,4-diol;bis(carbonochloridic acid)
CID 88626598
acetyl chloride;4-phenylphenol
CID 174878083
4-[3,5-bis(4-hydroxyphenyl)phenyl]benzoic acid
CID 139775356
4-[3-(4-carbonochloridoylphenyl)quinoxalin-2-yl]benzoyl chloride
CID 86121135
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
4-(2-phenylphenyl)benzoyl chloride
CID 141290738

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)benzoyl chloride?
The IUPAC name of 4-(4-hydroxyphenyl)benzoyl chloride (CID 87880031) is 4-(4-hydroxyphenyl)benzoyl chloride.
What is the SMILES notation for 4-(4-hydroxyphenyl)benzoyl chloride?
The canonical SMILES for 4-(4-hydroxyphenyl)benzoyl chloride is O=C(Cl)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)benzoyl chloride?
The InChIKey is AQYHKZNEOBDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(15)8-6-10/h1-8,15H.
What are the key properties of 4-(4-hydroxyphenyl)benzoyl chloride?
4-(4-hydroxyphenyl)benzoyl chloride has a molecular weight of 232.67 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)benzoyl chloride is sourced from PubChem (CID 87880031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).