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

C16H14ClFO2 — CID 102855973

IUPAC1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H14ClFO2/c1-2-15(19)11-6-8-13(9-7-11)20-10-12-4-3-5-14(17)16(12)18/h3-9H,2,10H2,1H3
InChIKeySDGZYFCEMCZBEB-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.65
Rot. Bonds5

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

1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one (PubChem CID 102855973) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
PubChem CID102855973
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H14ClFO2/c1-2-15(19)11-6-8-13(9-7-11)20-10-12-4-3-5-14(17)16(12)18/h3-9H,2,10H2,1H3
InChIKeySDGZYFCEMCZBEB-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 102856118
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
1-[4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 30057894
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107305560
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
7-[(3-chloro-2-fluorophenyl)methoxy]naphthalen-2-ol
CID 102856423
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
1-[4-[[4-(aminomethyl)phenyl]methoxy]phenyl]propan-1-one
CID 82147468
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
4-[(3-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 102855855

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one (CID 102855973) is 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2cccc(Cl)c2F)cc1.
What is the InChIKey of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
The InChIKey is SDGZYFCEMCZBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-2-15(19)11-6-8-13(9-7-11)20-10-12-4-3-5-14(17)16(12)18/h3-9H,2,10H2,1H3.
What are the key properties of 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one?
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one has a molecular weight of 292.74 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one is sourced from PubChem (CID 102855973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).