1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone

C19H15ClO — CID 81316894

IUPAC1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H15ClO/c1-13-9-16(11-17(20)10-13)19(21)12-15-7-4-6-14-5-2-3-8-18(14)15/h2-11H,12H2,1H3
InChIKeyIHECUZRXKWOGQB-UHFFFAOYSA-N
MW294.78 g/mol
LogP5.23
Rot. Bonds3

About 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone

1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone (PubChem CID 81316894) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
PubChem CID81316894
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone
SMILESCc1cc(Cl)cc(C(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C19H15ClO/c1-13-9-16(11-17(20)10-13)19(21)12-15-7-4-6-14-5-2-3-8-18(14)15/h2-11H,12H2,1H3
InChIKeyIHECUZRXKWOGQB-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.78
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
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CID 81323258
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(3-chloro-5-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 81324031
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
3,5-dimethyl-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386156
1-(2-hydroxy-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 155671739
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
1-(3-chloro-5-methylphenyl)-3-methylbutan-1-one
CID 114962381

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone (CID 81316894) is 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone is Cc1cc(Cl)cc(C(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone?
The InChIKey is IHECUZRXKWOGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c1-13-9-16(11-17(20)10-13)19(21)12-15-7-4-6-14-5-2-3-8-18(14)15/h2-11H,12H2,1H3.
What are the key properties of 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone?
1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone has a molecular weight of 294.78 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methylphenyl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 81316894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).