1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone

C18H12Cl2O — CID 63528200

IUPAC1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2O/c19-15-7-8-16(17(20)11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10H2
InChIKeyYEVYJDSIMWLHNF-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.57
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone

1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone (PubChem CID 63528200) has the molecular formula C18H12Cl2O and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
PubChem CID63528200
Molecular FormulaC18H12Cl2O
Molecular Weight315.20 g/mol
Exact Mass314.03
IUPAC Name1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2O/c19-15-7-8-16(17(20)11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10H2
InChIKeyYEVYJDSIMWLHNF-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
CID 63492855
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
CID 63528199
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033077
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
1-(2,5-dihydroxyphenyl)-2-naphthalen-2-ylethanone
CID 86168502
1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
CID 55225077
(2S)-2-[(2,4-dichlorobenzoyl)-(naphthalen-2-ylmethyl)amino]-3-phenylpropanoic acid
CID 10140527
3-(2,4-dichlorophenyl)-3-oxopropanal
CID 10889333
1-(4-acetylphenyl)-2-naphthalen-2-ylethanone;2-anthracen-2-yl-1-(2,4-dichlorophenyl)ethanone;1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone;1-(2,4-dichlorophenyl)-3-naphthalen-2-ylpropan-1-one;1-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylethanone;2-naphthalen-2-yl-1-(4-nitrophenyl)ethanone;2-naphthalen-2-yl-1-phenylethanone
CID 158243444

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone (CID 63528200) is 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone?
The InChIKey is YEVYJDSIMWLHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O/c19-15-7-8-16(17(20)11-15)18(21)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11H,10H2.
What are the key properties of 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone?
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone has a molecular weight of 315.20 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 63528200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).