1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one

C17H16ClFO2 — CID 79697694

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCOc1cc(C(=O)C(C)(C)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H16ClFO2/c1-17(2,12-5-7-13(19)8-6-12)16(20)11-4-9-14(18)15(10-11)21-3/h4-10H,1-3H3
InChIKeyFUDWZSAHXONGLT-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.65
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one

1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one (PubChem CID 79697694) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
PubChem CID79697694
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
SMILESCOc1cc(C(=O)C(C)(C)c2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C17H16ClFO2/c1-17(2,12-5-7-13(19)8-6-12)16(20)11-4-9-14(18)15(10-11)21-3/h4-10H,1-3H3
InChIKeyFUDWZSAHXONGLT-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
1-(3,5-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759777
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
2-(4-chloro-3-methoxyphenyl)-7-(4-fluorophenyl)-2-methyl-6-sulfanylideneheptan-3-one
CID 158251686
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
2-(4-chloro-3-methoxyphenyl)-2,2-difluoroacetic acid
CID 79712096
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
1-bromo-3-(4-chloro-3-methoxyphenyl)-3-methylbutan-2-one
CID 88578697
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one (CID 79697694) is 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one is COc1cc(C(=O)C(C)(C)c2ccc(F)cc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is FUDWZSAHXONGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c1-17(2,12-5-7-13(19)8-6-12)16(20)11-4-9-14(18)15(10-11)21-3/h4-10H,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one?
1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 306.76 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 79697694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).