1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one

C15H11Cl3O — CID 63409565

IUPAC1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl3O/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7H,8-9H2
InChIKeyGQLXWQPFWZRVIK-UHFFFAOYSA-N
MW313.61 g/mol
LogP5.00
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one

1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one (PubChem CID 63409565) has the molecular formula C15H11Cl3O and a molecular weight of 313.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
PubChem CID63409565
Molecular FormulaC15H11Cl3O
Molecular Weight313.61 g/mol
Exact Mass311.99
IUPAC Name1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccccc1Cl)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl3O/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7H,8-9H2
InChIKeyGQLXWQPFWZRVIK-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.61
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chlorophenyl)-4-oxopentanoic acid
CID 66338254
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 63409363
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373192
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 2781549
1-(2-chlorophenyl)-3-thiophen-3-ylpropan-2-one
CID 62621400
1-(2,6-dichlorophenyl)-4-methylpent-4-en-2-one
CID 79179750
sodium 2-(2,6-dichlorophenyl)acetate
CID 153409108
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one (CID 63409565) is 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one is O=C(Cc1ccccc1Cl)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one?
The InChIKey is GQLXWQPFWZRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O/c16-13-5-2-1-4-10(13)8-11(19)9-12-14(17)6-3-7-15(12)18/h1-7H,8-9H2.
What are the key properties of 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one?
1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one has a molecular weight of 313.61 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one is sourced from PubChem (CID 63409565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).