(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone

C13H11ClO3S — CID 81127145

IUPAC(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2sccc2OC)cc1Cl
InChIInChI=1S/C13H11ClO3S/c1-16-10-4-3-8(7-9(10)14)12(15)13-11(17-2)5-6-18-13/h3-7H,1-2H3
InChIKeyJRELADIKNYIQPP-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.65
Rot. Bonds4

About (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone

(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81127145) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81127145
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2sccc2OC)cc1Cl
InChIInChI=1S/C13H11ClO3S/c1-16-10-4-3-8(7-9(10)14)12(15)13-11(17-2)5-6-18-13/h3-7H,1-2H3
InChIKeyJRELADIKNYIQPP-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81126735
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone (CID 81127145) is (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone is COc1ccc(C(=O)c2sccc2OC)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is JRELADIKNYIQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-16-10-4-3-8(7-9(10)14)12(15)13-11(17-2)5-6-18-13/h3-7H,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 282.75 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81127145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).