(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone

C16H11ClOS — CID 79596882

IUPAC(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClOS/c1-10-8-9-19-16(10)15(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9H,1H3
InChIKeyHBFQROILTDLXHO-UHFFFAOYSA-N
MW286.78 g/mol
LogP5.09
Rot. Bonds2

About (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone

(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 79596882) has the molecular formula C16H11ClOS and a molecular weight of 286.78 g/mol. Its IUPAC name is (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID79596882
Molecular FormulaC16H11ClOS
Molecular Weight286.78 g/mol
Exact Mass286.02
IUPAC Name(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClOS/c1-10-8-9-19-16(10)15(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9H,1H3
InChIKeyHBFQROILTDLXHO-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.78
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
CID 79601820
(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone
CID 43463073
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
(4-chloronaphthalene-1-carbonyl) 4-chloronaphthalene-1-carboxylate
CID 57061694
(4-fluoronaphthalen-1-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127573
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683

Frequently Asked Questions

What is the IUPAC name of (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone (CID 79596882) is (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is HBFQROILTDLXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClOS/c1-10-8-9-19-16(10)15(18)13-6-7-14(17)12-5-3-2-4-11(12)13/h2-9H,1H3.
What are the key properties of (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone?
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 286.78 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79596882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).