(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone

C14H13ClO2S — CID 103434981

IUPAC(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2sccc2Cl)ccc(C)c1C
InChIInChI=1S/C14H13ClO2S/c1-8-4-5-10(13(17-3)9(8)2)12(16)14-11(15)6-7-18-14/h4-7H,1-3H3
InChIKeyWEQIPAWZTNYZJE-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.26
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone

(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone (PubChem CID 103434981) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
PubChem CID103434981
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
SMILESCOc1c(C(=O)c2sccc2Cl)ccc(C)c1C
InChIInChI=1S/C14H13ClO2S/c1-8-4-5-10(13(17-3)9(8)2)12(16)14-11(15)6-7-18-14/h4-7H,1-3H3
InChIKeyWEQIPAWZTNYZJE-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(2-methoxy-3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 103435076
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432923
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(4-chloronaphthalen-1-yl)-(3-methylthiophen-2-yl)methanone
CID 79596882
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 80644952
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone (CID 103434981) is (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone is COc1c(C(=O)c2sccc2Cl)ccc(C)c1C.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone?
The InChIKey is WEQIPAWZTNYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-8-4-5-10(13(17-3)9(8)2)12(16)14-11(15)6-7-18-14/h4-7H,1-3H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone?
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone has a molecular weight of 280.78 g/mol, XLogP of 4.26, 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)-(2-methoxy-3,4-dimethylphenyl)methanone is sourced from PubChem (CID 103434981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).