[(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone

C16H16O2S — CID 154720984

IUPAC[(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone
SMILESCC1(C)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1O
InChIInChI=1S/C16H16O2S/c1-16(2)13(10-6-3-4-7-11(10)17)14(16)15(18)12-8-5-9-19-12/h3-9,13-14,17H,1-2H3/t13-,14+/m0/s1
InChIKeyXULJHRWVXFAHOI-UONOGXRCSA-N
MW272.37 g/mol
LogP4.08
Rot. Bonds3

About [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone

[(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone (PubChem CID 154720984) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone
PubChem CID154720984
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name[(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone
SMILESCC1(C)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1O
InChIInChI=1S/C16H16O2S/c1-16(2)13(10-6-3-4-7-11(10)17)14(16)15(18)12-8-5-9-19-12/h3-9,13-14,17H,1-2H3/t13-,14+/m0/s1
InChIKeyXULJHRWVXFAHOI-UONOGXRCSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(2S,3S)-2-(2-chlorophenyl)-3-(thiophene-2-carbonyl)cyclopropane-1,1-dicarbonitrile
CID 141139275
(1S,2R)-6,6-dimethyl-1-(4-methylphenyl)-2-(thiophene-2-carbonyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 102478075
(1S,2R)-1-(4-chlorophenyl)-6,6-dimethyl-2-(thiophene-2-carbonyl)-5,7-dioxaspiro[2.5]octane-4,8-dione
CID 102478077
N-(9H-fluoren-9-yl)thiophene-2-carboxamide
CID 712601
1,2,3,4-tetrahydroisoquinolin-4-yl(thiophen-2-yl)methanone
CID 116573474
(3S)-5,5-dimethyl-3-(thiophene-2-carbonyl)oxolan-2-one
CID 155934347
trans-(2R,3S)-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)cyclopropane-1,1-dicarbonitrile
CID 141139272
[(4R,5R,6R)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-5-yl]-thiophen-2-ylmethanone
CID 98422329
(4S,5S,6R)-6-hydroxy-4-(3-hydroxyphenyl)-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
CID 42427870
azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702
[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 7172770
S-hydroxy thiophene-2-carbothioate
CID 134893534

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone?
The IUPAC name of [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone (CID 154720984) is [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone?
The canonical SMILES for [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone is CC1(C)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1O.
What is the InChIKey of [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone?
The InChIKey is XULJHRWVXFAHOI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H16O2S/c1-16(2)13(10-6-3-4-7-11(10)17)14(16)15(18)12-8-5-9-19-12/h3-9,13-14,17H,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone?
[(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone has a molecular weight of 272.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(2-hydroxyphenyl)-2,2-dimethylcyclopropyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 154720984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).