3-methoxy-2-phenylmethoxybenzoyl chloride

C15H13ClO3 — CID 22736875

IUPAC3-methoxy-2-phenylmethoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1OCc1ccccc1
InChIInChI=1S/C15H13ClO3/c1-18-13-9-5-8-12(15(16)17)14(13)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyCRXDUPQUSSFOPT-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.65
Rot. Bonds5

About 3-methoxy-2-phenylmethoxybenzoyl chloride

3-methoxy-2-phenylmethoxybenzoyl chloride (PubChem CID 22736875) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-methoxy-2-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name3-methoxy-2-phenylmethoxybenzoyl chloride
PubChem CID22736875
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name3-methoxy-2-phenylmethoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1OCc1ccccc1
InChIInChI=1S/C15H13ClO3/c1-18-13-9-5-8-12(15(16)17)14(13)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyCRXDUPQUSSFOPT-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
CID 46779695
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
2-phenylmethoxybenzoyl chloride
CID 10999355
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
3-iodo-5-methoxy-4-phenylmethoxybenzoyl chloride
CID 91689903
[3-methoxy-2-(methoxymethoxy)phenyl]-(4-phenylmethoxyphenyl)methanone
CID 68911244
(E)-1-(2-hydroxyphenyl)-3-(3-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 15887381
3-amino-1-(3-ethoxy-2-phenylmethoxyphenyl)propan-1-one
CID 117482319
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenylmethoxybenzoyl chloride?
The IUPAC name of 3-methoxy-2-phenylmethoxybenzoyl chloride (CID 22736875) is 3-methoxy-2-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 3-methoxy-2-phenylmethoxybenzoyl chloride?
The canonical SMILES for 3-methoxy-2-phenylmethoxybenzoyl chloride is COc1cccc(C(=O)Cl)c1OCc1ccccc1.
What is the InChIKey of 3-methoxy-2-phenylmethoxybenzoyl chloride?
The InChIKey is CRXDUPQUSSFOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-13-9-5-8-12(15(16)17)14(13)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of 3-methoxy-2-phenylmethoxybenzoyl chloride?
3-methoxy-2-phenylmethoxybenzoyl chloride has a molecular weight of 276.72 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 22736875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).