3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one

C17H16ClFO2 — CID 82051895

IUPAC3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
SMILESCc1ccc(OCc2ccc(F)cc2)c(C(=O)CCCl)c1
InChIInChI=1S/C17H16ClFO2/c1-12-2-7-17(15(10-12)16(20)8-9-18)21-11-13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3
InChIKeyRENDXUDNLNLQJU-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.52
Rot. Bonds6

About 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one

3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one (PubChem CID 82051895) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
PubChem CID82051895
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one
SMILESCc1ccc(OCc2ccc(F)cc2)c(C(=O)CCCl)c1
InChIInChI=1S/C17H16ClFO2/c1-12-2-7-17(15(10-12)16(20)8-9-18)21-11-13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3
InChIKeyRENDXUDNLNLQJU-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]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

4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobutanoic acid
CID 82051889
(E)-4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobut-2-enoic acid
CID 82051890
3-chloro-1-(5-methyl-2-propoxyphenyl)propan-1-one
CID 82051946
2-methoxy-1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 82051856
4-chloro-1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]butan-1-one
CID 82051643
1-[2-[(4-chlorophenyl)methoxy]-5-methylphenyl]-2-methoxyethanone
CID 82051875
1-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]-4-methylpent-4-en-1-one
CID 142835435
potassium trifluoro-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]boranuide
CID 63678321
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 77011444
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18104964

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one?
The IUPAC name of 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one (CID 82051895) is 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one?
The canonical SMILES for 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one is Cc1ccc(OCc2ccc(F)cc2)c(C(=O)CCCl)c1.
What is the InChIKey of 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one?
The InChIKey is RENDXUDNLNLQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-12-2-7-17(15(10-12)16(20)8-9-18)21-11-13-3-5-14(19)6-4-13/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one?
3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one has a molecular weight of 306.76 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]propan-1-one is sourced from PubChem (CID 82051895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).