(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

C15H13ClO2S — CID 43463341

IUPAC(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3c(s2)CCC3)cc1Cl
InChIInChI=1S/C15H13ClO2S/c1-18-12-6-5-10(7-11(12)16)15(17)14-8-9-3-2-4-13(9)19-14/h5-8H,2-4H2,1H3
InChIKeyNMCPINCEAWAUJN-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.13
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone

(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (PubChem CID 43463341) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
PubChem CID43463341
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
SMILESCOc1ccc(C(=O)c2cc3c(s2)CCC3)cc1Cl
InChIInChI=1S/C15H13ClO2S/c1-18-12-6-5-10(7-11(12)16)15(17)14-8-9-3-2-4-13(9)19-14/h5-8H,2-4H2,1H3
InChIKeyNMCPINCEAWAUJN-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 43463349
(3,4-dichlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463780
(3,4-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43463390
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626590
N-(5-chloro-2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245994
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propoxyphenyl)methanone
CID 114971100
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463235
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 24540850
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 65299563

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone (CID 43463341) is (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is COc1ccc(C(=O)c2cc3c(s2)CCC3)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
The InChIKey is NMCPINCEAWAUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c1-18-12-6-5-10(7-11(12)16)15(17)14-8-9-3-2-4-13(9)19-14/h5-8H,2-4H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone?
(3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone has a molecular weight of 292.79 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone is sourced from PubChem (CID 43463341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).