(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone

C16H11ClO2S — CID 80645338

IUPAC(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3sccc3Cl)ccc2c1
InChIInChI=1S/C16H11ClO2S/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)15(18)16-14(17)6-7-20-16/h2-9H,1H3
InChIKeyWHYUSTFLKHRFOM-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.79
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone

(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 80645338) has the molecular formula C16H11ClO2S and a molecular weight of 302.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
PubChem CID80645338
Molecular FormulaC16H11ClO2S
Molecular Weight302.78 g/mol
Exact Mass302.02
IUPAC Name(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)c3sccc3Cl)ccc2c1
InChIInChI=1S/C16H11ClO2S/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)15(18)16-14(17)6-7-20-16/h2-9H,1H3
InChIKeyWHYUSTFLKHRFOM-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone (CID 80645338) is (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)c3sccc3Cl)ccc2c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is WHYUSTFLKHRFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClO2S/c1-19-13-5-4-10-8-12(3-2-11(10)9-13)15(18)16-14(17)6-7-20-16/h2-9H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone?
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 302.78 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 80645338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).