2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride

C15H13ClO3 — CID 10062032

IUPAC2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1-c1ccccc1CO
InChIInChI=1S/C15H13ClO3/c1-19-13-8-4-7-12(15(16)18)14(13)11-6-3-2-5-10(11)9-17/h2-8,17H,9H2,1H3
InChIKeyPXLPLEXVBKMFIM-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride

2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride (PubChem CID 10062032) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
PubChem CID10062032
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1-c1ccccc1CO
InChIInChI=1S/C15H13ClO3/c1-19-13-8-4-7-12(15(16)18)14(13)11-6-3-2-5-10(11)9-17/h2-8,17H,9H2,1H3
InChIKeyPXLPLEXVBKMFIM-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
[2-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]phenyl]methanol
CID 44578876
2-iodo-3-methoxybenzoyl chloride
CID 14104555
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
9-oxofluorene-4-carbonyl chloride
CID 610142
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
N,N-diethyl-3-methoxy-2-(2-methylphenyl)benzamide
CID 14174929
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride?
The IUPAC name of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride (CID 10062032) is 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride?
The canonical SMILES for 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride is COc1cccc(C(=O)Cl)c1-c1ccccc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride?
The InChIKey is PXLPLEXVBKMFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-19-13-8-4-7-12(15(16)18)14(13)11-6-3-2-5-10(11)9-17/h2-8,17H,9H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride?
2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride has a molecular weight of 276.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenyl]-3-methoxybenzoyl chloride is sourced from PubChem (CID 10062032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).