3-methyl-4-phenylmethoxybenzoyl chloride

C15H13ClO2 — CID 18995347

IUPAC3-methyl-4-phenylmethoxybenzoyl chloride
SMILESCc1cc(C(=O)Cl)ccc1OCc1ccccc1
InChIInChI=1S/C15H13ClO2/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyGFUTXRGNMOTSNZ-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.95
Rot. Bonds4

About 3-methyl-4-phenylmethoxybenzoyl chloride

3-methyl-4-phenylmethoxybenzoyl chloride (PubChem CID 18995347) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-methyl-4-phenylmethoxybenzoyl chloride.

Molecular Properties

Compound Name3-methyl-4-phenylmethoxybenzoyl chloride
PubChem CID18995347
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name3-methyl-4-phenylmethoxybenzoyl chloride
SMILESCc1cc(C(=O)Cl)ccc1OCc1ccccc1
InChIInChI=1S/C15H13ClO2/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyGFUTXRGNMOTSNZ-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.95
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-methyl-4-phenylmethoxybenzoic acid
CID 53471145
benzyl 3-methyl-4-phenylmethoxybenzoate
CID 123221197
2-isocyano-1-(3-methyl-4-phenylmethoxyphenyl)ethanone
CID 88950115
(Z)-3-(dimethylamino)-2-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 166747703
3-methyl-4-[(3-methylphenyl)methoxy]benzoic acid
CID 82051650
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
2-(3-methyl-4-phenylmethoxyphenyl)acetamide
CID 67539296
2-chloro-1-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 82051662
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
2-amino-1-(4-methyl-3-phenylmethoxyphenyl)ethanone
CID 117391400
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
4-(1-adamantyl)-3-phenylmethoxybenzoyl chloride
CID 139908702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenylmethoxybenzoyl chloride?
The IUPAC name of 3-methyl-4-phenylmethoxybenzoyl chloride (CID 18995347) is 3-methyl-4-phenylmethoxybenzoyl chloride.
What is the SMILES notation for 3-methyl-4-phenylmethoxybenzoyl chloride?
The canonical SMILES for 3-methyl-4-phenylmethoxybenzoyl chloride is Cc1cc(C(=O)Cl)ccc1OCc1ccccc1.
What is the InChIKey of 3-methyl-4-phenylmethoxybenzoyl chloride?
The InChIKey is GFUTXRGNMOTSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 3-methyl-4-phenylmethoxybenzoyl chloride?
3-methyl-4-phenylmethoxybenzoyl chloride has a molecular weight of 260.72 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenylmethoxybenzoyl chloride is sourced from PubChem (CID 18995347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).