2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one

C17H17ClO2 — CID 82051803

IUPAC2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
SMILESCc1cccc(COc2ccc(C(=O)C(C)Cl)cc2)c1
InChIInChI=1S/C17H17ClO2/c1-12-4-3-5-14(10-12)11-20-16-8-6-15(7-9-16)17(19)13(2)18/h3-10,13H,11H2,1-2H3
InChIKeyUWPFPYBQBPYQSW-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.38
Rot. Bonds5

About 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one

2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one (PubChem CID 82051803) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
PubChem CID82051803
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
SMILESCc1cccc(COc2ccc(C(=O)C(C)Cl)cc2)c1
InChIInChI=1S/C17H17ClO2/c1-12-4-3-5-14(10-12)11-20-16-8-6-15(7-9-16)17(19)13(2)18/h3-10,13H,11H2,1-2H3
InChIKeyUWPFPYBQBPYQSW-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-methylphenyl)methoxy]phenyl]-2-propan-2-ylsulfanylethanone
CID 82051791
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
CID 110184490
(Z)-1,1,1-trifluoro-4-hydroxy-4-[4-[(3-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 46784552
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one (CID 82051803) is 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one is Cc1cccc(COc2ccc(C(=O)C(C)Cl)cc2)c1.
What is the InChIKey of 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one?
The InChIKey is UWPFPYBQBPYQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-4-3-5-14(10-12)11-20-16-8-6-15(7-9-16)17(19)13(2)18/h3-10,13H,11H2,1-2H3.
What are the key properties of 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one?
2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one has a molecular weight of 288.77 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 82051803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).