3-phenylmethoxybenzoyl chloride

C14H11ClO2 — CID 4995375

IUPAC3-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H11ClO2/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyHPVUGOBQRQUWMK-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.64
Rot. Bonds4

About 3-phenylmethoxybenzoyl chloride

3-phenylmethoxybenzoyl chloride (PubChem CID 4995375) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name3-phenylmethoxybenzoyl chloride
PubChem CID4995375
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name3-phenylmethoxybenzoyl chloride
SMILESO=C(Cl)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C14H11ClO2/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyHPVUGOBQRQUWMK-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

3-Phenoxybenzoic acid
CID 19539
3-Phenoxybenzaldehyde
CID 38284
Phenyl benzoate
CID 7169
3-Methoxybenzaldehyde
CID 11569
4-Phenoxybenzaldehyde
CID 66139
3-Methoxyacetophenone
CID 11460
Ethanone, 1-(3-phenoxyphenyl)-
CID 36249
2-(Benzyloxy)benzaldehyde
CID 344784
1-[4-(Benzyloxy)phenyl]ethan-1-one
CID 245226
Cresentyl
CID 69193
Benzaldehyde, 4-(phenylmethoxy)-
CID 78109
4,4'-Oxybis(benzoyl Chloride)
CID 23546

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxybenzoyl chloride?
The IUPAC name of 3-phenylmethoxybenzoyl chloride (CID 4995375) is 3-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 3-phenylmethoxybenzoyl chloride?
The canonical SMILES for 3-phenylmethoxybenzoyl chloride is O=C(Cl)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxybenzoyl chloride?
The InChIKey is HPVUGOBQRQUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 3-phenylmethoxybenzoyl chloride?
3-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 3-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 4995375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).