1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone

C15H11Cl2FO2 — CID 107306486

IUPAC1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)12-7-11(18)5-6-14(12)20-8-10-3-2-4-13(16)15(10)17/h2-7H,8H2,1H3
InChIKeyMCCKSIOODHNNOL-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.91
Rot. Bonds4

About 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone

1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone (PubChem CID 107306486) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
PubChem CID107306486
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H11Cl2FO2/c1-9(19)12-7-11(18)5-6-14(12)20-8-10-3-2-4-13(16)15(10)17/h2-7H,8H2,1H3
InChIKeyMCCKSIOODHNNOL-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-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
(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
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
1-[4-[(2,3-dichlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 107719291
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
2-(2-acetyl-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112774627
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 107690673
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone (CID 107306486) is 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
The InChIKey is MCCKSIOODHNNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-9(19)12-7-11(18)5-6-14(12)20-8-10-3-2-4-13(16)15(10)17/h2-7H,8H2,1H3.
What are the key properties of 1-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone?
1-[2-[(2,3-dichlorophenyl)methoxy]-5-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-[2-[(2,3-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone is sourced from PubChem (CID 107306486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).