1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one

C16H14ClFO2 — CID 103047948

IUPAC1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H14ClFO2/c1-20-15-4-2-3-11(8-15)7-14(19)10-12-9-13(17)5-6-16(12)18/h2-6,8-9H,7,10H2,1H3
InChIKeyIIESBTNQKKSHGP-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.84
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one

1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one (PubChem CID 103047948) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
PubChem CID103047948
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
SMILESCOc1cccc(CC(=O)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C16H14ClFO2/c1-20-15-4-2-3-11(8-15)7-14(19)10-12-9-13(17)5-6-16(12)18/h2-6,8-9H,7,10H2,1H3
InChIKeyIIESBTNQKKSHGP-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
1-(5-chloro-2-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 103052515
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 55090408
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
[1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 103053528
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one (CID 103047948) is 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one is COc1cccc(CC(=O)Cc2cc(Cl)ccc2F)c1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
The InChIKey is IIESBTNQKKSHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-20-15-4-2-3-11(8-15)7-14(19)10-12-9-13(17)5-6-16(12)18/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one?
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one has a molecular weight of 292.74 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 103047948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).