4-hydroxy-2-methylbenzoyl chloride

C8H7ClO2 — CID 103689413

IUPAC4-hydroxy-2-methylbenzoyl chloride
SMILESCc1cc(O)ccc1C(=O)Cl
InChIInChI=1S/C8H7ClO2/c1-5-4-6(10)2-3-7(5)8(9)11/h2-4,10H,1H3
InChIKeyDNAZQFGGNQGXLI-UHFFFAOYSA-N
MW170.59 g/mol
LogP2.08
Rot. Bonds1

About 4-hydroxy-2-methylbenzoyl chloride

4-hydroxy-2-methylbenzoyl chloride (PubChem CID 103689413) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 4-hydroxy-2-methylbenzoyl chloride.

Molecular Properties

Compound Name4-hydroxy-2-methylbenzoyl chloride
PubChem CID103689413
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name4-hydroxy-2-methylbenzoyl chloride
SMILESCc1cc(O)ccc1C(=O)Cl
InChIInChI=1S/C8H7ClO2/c1-5-4-6(10)2-3-7(5)8(9)11/h2-4,10H,1H3
InChIKeyDNAZQFGGNQGXLI-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 52.08
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

benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
4-hydroxy-N-methoxy-2-methylbenzamide
CID 103865166
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
2-ethyl-4-hydroxybenzoic acid;4-hydroxy-2-methylbenzoic acid
CID 70039080
5-(4-hydroxy-2-methylphenyl)-5-oxopentanoic acid
CID 82264606
4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride
CID 89320746
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
2,3-bis(4-hydroxy-2-methylphenyl)terephthalic acid
CID 67898898
4-carbonochloridoyl-3-hydroxybenzoic acid
CID 21397011

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylbenzoyl chloride?
The IUPAC name of 4-hydroxy-2-methylbenzoyl chloride (CID 103689413) is 4-hydroxy-2-methylbenzoyl chloride.
What is the SMILES notation for 4-hydroxy-2-methylbenzoyl chloride?
The canonical SMILES for 4-hydroxy-2-methylbenzoyl chloride is Cc1cc(O)ccc1C(=O)Cl.
What is the InChIKey of 4-hydroxy-2-methylbenzoyl chloride?
The InChIKey is DNAZQFGGNQGXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c1-5-4-6(10)2-3-7(5)8(9)11/h2-4,10H,1H3.
What are the key properties of 4-hydroxy-2-methylbenzoyl chloride?
4-hydroxy-2-methylbenzoyl chloride has a molecular weight of 170.59 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylbenzoyl chloride is sourced from PubChem (CID 103689413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).