1-(3,5-dichlorophenyl)-2-phenoxyethanone

C14H10Cl2O2 — CID 146005989

IUPAC1-(3,5-dichlorophenyl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2O2/c15-11-6-10(7-12(16)8-11)14(17)9-18-13-4-2-1-3-5-13/h1-8H,9H2
InChIKeyLSXUDKUHUKKVKL-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.26
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-phenoxyethanone

1-(3,5-dichlorophenyl)-2-phenoxyethanone (PubChem CID 146005989) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-phenoxyethanone
PubChem CID146005989
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name1-(3,5-dichlorophenyl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H10Cl2O2/c15-11-6-10(7-12(16)8-11)14(17)9-18-13-4-2-1-3-5-13/h1-8H,9H2
InChIKeyLSXUDKUHUKKVKL-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
phenol;2-phenoxy-1-phenylethanone
CID 161484281
3-chloro-5-[(2-phenoxyacetyl)amino]benzamide
CID 154872841
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[4-[2-[4-chloro-3-(3,5-dichlorophenoxy)phenoxy]acetyl]phenoxy]acetic acid
CID 134816560

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-phenoxyethanone?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-phenoxyethanone (CID 146005989) is 1-(3,5-dichlorophenyl)-2-phenoxyethanone.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-phenoxyethanone?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-phenoxyethanone is O=C(COc1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-phenoxyethanone?
The InChIKey is LSXUDKUHUKKVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-11-6-10(7-12(16)8-11)14(17)9-18-13-4-2-1-3-5-13/h1-8H,9H2.
What are the key properties of 1-(3,5-dichlorophenyl)-2-phenoxyethanone?
1-(3,5-dichlorophenyl)-2-phenoxyethanone has a molecular weight of 281.14 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-phenoxyethanone is sourced from PubChem (CID 146005989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).