(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone

C13H11ClO3S — CID 80530097

IUPAC(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1sccc1Cl
InChIInChI=1S/C13H11ClO3S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7H,1-2H3
InChIKeyHRIGNPNYRGKWCH-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.65
Rot. Bonds4

About (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone

(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 80530097) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
PubChem CID80530097
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)c1sccc1Cl
InChIInChI=1S/C13H11ClO3S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7H,1-2H3
InChIKeyHRIGNPNYRGKWCH-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

(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(3-chlorothiophen-2-yl)-(2-methylnaphthalen-1-yl)methanone
CID 81430771
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(3-chlorothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810952

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone (CID 80530097) is (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is HRIGNPNYRGKWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-16-9-4-3-5-10(17-2)11(9)12(15)13-8(14)6-7-18-13/h3-7H,1-2H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone?
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)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-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 80530097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).