(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone

C13H11ClO2S — CID 43561630

IUPAC(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)s2)c(Cl)c1
InChIInChI=1S/C13H11ClO2S/c1-8-3-6-12(17-8)13(15)10-5-4-9(16-2)7-11(10)14/h3-7H,1-2H3
InChIKeyCEGHIFKHXCBGSQ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.95
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone

(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 43561630) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
PubChem CID43561630
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Name(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc(C)s2)c(Cl)c1
InChIInChI=1S/C13H11ClO2S/c1-8-3-6-12(17-8)13(15)10-5-4-9(16-2)7-11(10)14/h3-7H,1-2H3
InChIKeyCEGHIFKHXCBGSQ-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylthiophen-2-yl)methanone
CID 43463549
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(2-chloro-4-methoxyphenyl)-(furan-2-yl)methanone
CID 21430685
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone (CID 43561630) is (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone is COc1ccc(C(=O)c2ccc(C)s2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is CEGHIFKHXCBGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-8-3-6-12(17-8)13(15)10-5-4-9(16-2)7-11(10)14/h3-7H,1-2H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone?
(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 266.75 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43561630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).