1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone

C17H16Cl2O — CID 114968359

IUPAC1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2O/c1-11(2)13-5-3-12(4-6-13)7-17(20)14-8-15(18)10-16(19)9-14/h3-6,8-11H,7H2,1-2H3
InChIKeyFFQASSBDRQWZBE-UHFFFAOYSA-N
MW307.22 g/mol
LogP5.54
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 114968359) has the molecular formula C17H16Cl2O and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID114968359
Molecular FormulaC17H16Cl2O
Molecular Weight307.22 g/mol
Exact Mass306.06
IUPAC Name1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H16Cl2O/c1-11(2)13-5-3-12(4-6-13)7-17(20)14-8-15(18)10-16(19)9-14/h3-6,8-11H,7H2,1-2H3
InChIKeyFFQASSBDRQWZBE-UHFFFAOYSA-N
XLogP5.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.22
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116552334
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
1-(3-amino-5-chlorophenyl)-2-(4-chlorophenyl)ethanone
CID 116597278
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968366
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(3-bromo-5-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 107944369
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 114968359) is 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is FFQASSBDRQWZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O/c1-11(2)13-5-3-12(4-6-13)7-17(20)14-8-15(18)10-16(19)9-14/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 307.22 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 114968359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).