2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one

C16H14ClFO3 — CID 105123701

IUPAC2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)C(C)Oc2cccc(Cl)c2)c1F
InChIInChI=1S/C16H14ClFO3/c1-10(21-12-6-3-5-11(17)9-12)16(19)13-7-4-8-14(20-2)15(13)18/h3-10H,1-2H3
InChIKeyRYUXFXPROYUGMZ-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.14
Rot. Bonds5

About 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one

2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one (PubChem CID 105123701) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
PubChem CID105123701
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)C(C)Oc2cccc(Cl)c2)c1F
InChIInChI=1S/C16H14ClFO3/c1-10(21-12-6-3-5-11(17)9-12)16(19)13-7-4-8-14(20-2)15(13)18/h3-10H,1-2H3
InChIKeyRYUXFXPROYUGMZ-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113491
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propan-1-amine
CID 105093487
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
2-(3-chlorophenoxy)-1-(furan-2-yl)propan-1-one
CID 105099319
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
2-(3-chlorophenoxy)-N-(2,4-dimethoxyphenyl)propanamide
CID 5105223
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one (CID 105123701) is 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)C(C)Oc2cccc(Cl)c2)c1F.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
The InChIKey is RYUXFXPROYUGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-10(21-12-6-3-5-11(17)9-12)16(19)13-7-4-8-14(20-2)15(13)18/h3-10H,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one?
2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one has a molecular weight of 308.74 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2-fluoro-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 105123701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).