1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one

C16H13Cl2FO2 — CID 62622130

IUPAC1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C16H13Cl2FO2/c1-21-16-5-3-11(9-15(16)19)7-12(20)6-10-2-4-13(17)14(18)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyNQMSXQDFQHAKRP-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.50
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one

1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one (PubChem CID 62622130) has the molecular formula C16H13Cl2FO2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
PubChem CID62622130
Molecular FormulaC16H13Cl2FO2
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1F
InChIInChI=1S/C16H13Cl2FO2/c1-21-16-5-3-11(9-15(16)19)7-12(20)6-10-2-4-13(17)14(18)8-10/h2-5,8-9H,6-7H2,1H3
InChIKeyNQMSXQDFQHAKRP-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-hydroxypropan-2-one
CID 82282114
1-(4-chloro-2,5-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966239
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)propan-2-one
CID 39445145
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-(3-fluoro-4-methoxyphenyl)-4-methoxybutan-2-one
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1-(2-bromophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62829143
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
1-(2-chloro-6-fluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966192
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9042461
1-(3-chloro-4-methoxyphenyl)-3-sulfanylpropan-2-one
CID 58139123
[1-amino-2-(3-fluoro-4-methoxyphenyl)ethylidene]azanium
CID 6347254
1-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propan-2-one
CID 116562712

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one (CID 62622130) is 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one is COc1ccc(CC(=O)Cc2ccc(Cl)c(Cl)c2)cc1F.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
The InChIKey is NQMSXQDFQHAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FO2/c1-21-16-5-3-11(9-15(16)19)7-12(20)6-10-2-4-13(17)14(18)8-10/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one?
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one has a molecular weight of 327.18 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62622130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).