2-phenylmethoxybenzoyl chloride

C14H11ClO2 — CID 10999355

IUPAC2-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1ccccc1OCc1ccccc1
InChIInChI=1S/C14H11ClO2/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyITDFRSCTQXOUAC-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.64
Rot. Bonds4

About 2-phenylmethoxybenzoyl chloride

2-phenylmethoxybenzoyl chloride (PubChem CID 10999355) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name2-phenylmethoxybenzoyl chloride
PubChem CID10999355
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1ccccc1OCc1ccccc1
InChIInChI=1S/C14H11ClO2/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyITDFRSCTQXOUAC-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
2-bromo-1-(2-phenylmethoxyphenyl)ethanone
CID 12541850
2,2-dibromo-1-(2-phenylmethoxyphenyl)ethanone
CID 87515751
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
dimethyl (E)-2,3-bis(2-phenylmethoxyphenyl)but-2-enedioate
CID 135020990
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
CID 10981850
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxybenzoyl chloride?
The IUPAC name of 2-phenylmethoxybenzoyl chloride (CID 10999355) is 2-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 2-phenylmethoxybenzoyl chloride?
The canonical SMILES for 2-phenylmethoxybenzoyl chloride is O=C(Cl)c1ccccc1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxybenzoyl chloride?
The InChIKey is ITDFRSCTQXOUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-phenylmethoxybenzoyl chloride?
2-phenylmethoxybenzoyl chloride has a molecular weight of 246.69 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 10999355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).