1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone

C16H15ClO — CID 63411862

IUPAC1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO/c1-2-12-6-8-13(9-7-12)10-16(18)14-4-3-5-15(17)11-14/h3-9,11H,2,10H2,1H3
InChIKeyLCOJGVZUVBPDHD-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone

1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone (PubChem CID 63411862) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
PubChem CID63411862
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO/c1-2-12-6-8-13(9-7-12)10-16(18)14-4-3-5-15(17)11-14/h3-9,11H,2,10H2,1H3
InChIKeyLCOJGVZUVBPDHD-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
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(4-ethylphenyl) 3-chlorobenzoate
CID 7314075
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-[1-[4-[2-(3-chlorophenyl)-2-oxoethyl]phenyl]cyclobutyl]pentan-2-one
CID 158599320
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
1-(3-chlorophenyl)-3,3,3-trideuteriopropan-1-one
CID 122651626

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone (CID 63411862) is 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone?
The InChIKey is LCOJGVZUVBPDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-2-12-6-8-13(9-7-12)10-16(18)14-4-3-5-15(17)11-14/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone?
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone has a molecular weight of 258.75 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 63411862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).