1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone

C15H11Cl2FO2 — CID 107719291

IUPAC1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)12-6-5-11(7-14(12)18)20-8-10-3-2-4-13(16)15(10)17/h2-7H,8H2,1H3
InChIKeyFDVDDNKJBHGXOF-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.91
Rot. Bonds4

About 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone

1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone (PubChem CID 107719291) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
PubChem CID107719291
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1F
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)12-6-5-11(7-14(12)18)20-8-10-3-2-4-13(16)15(10)17/h2-7H,8H2,1H3
InChIKeyFDVDDNKJBHGXOF-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
1-[4-[(2-ethylphenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863374
1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 107306486
1-[4-[(2-chlorophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864298
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
1-[2-chloro-4-[(2-iodophenyl)methoxy]phenyl]ethanone
CID 91863438
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
(4-acetyl-3-fluorophenoxy)methyl-trifluoroboranuide
CID 107719077
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 107306643
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone (CID 107719291) is 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone is CC(=O)c1ccc(OCc2cccc(Cl)c2Cl)cc1F.
What is the InChIKey of 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone?
The InChIKey is FDVDDNKJBHGXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-9(19)12-6-5-11(7-14(12)18)20-8-10-3-2-4-13(16)15(10)17/h2-7H,8H2,1H3.
What are the key properties of 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone?
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone has a molecular weight of 313.16 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 107719291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).