(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol

C16H17ClOS — CID 103408312

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
SMILESCc1csc(C(O)c2cccc(C3CCC3)c2)c1Cl
InChIInChI=1S/C16H17ClOS/c1-10-9-19-16(14(10)17)15(18)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-9,11,15,18H,2,4-5H2,1H3
InChIKeyQWMGSMLJBSAVRU-UHFFFAOYSA-N
MW292.83 g/mol
LogP5.06
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol

(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol (PubChem CID 103408312) has the molecular formula C16H17ClOS and a molecular weight of 292.83 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
PubChem CID103408312
Molecular FormulaC16H17ClOS
Molecular Weight292.83 g/mol
Exact Mass292.07
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
SMILESCc1csc(C(O)c2cccc(C3CCC3)c2)c1Cl
InChIInChI=1S/C16H17ClOS/c1-10-9-19-16(14(10)17)15(18)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-9,11,15,18H,2,4-5H2,1H3
InChIKeyQWMGSMLJBSAVRU-UHFFFAOYSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.83
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclopropylphenyl)-(3-methylthiophen-2-yl)methanol
CID 79991292
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
(3-cyclobutylphenyl)-(2,4-dimethylphenyl)methanol
CID 114601241
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(3-cyclobutylphenyl)-(3,5-dimethyl-2-pyridinyl)methanol
CID 114602448
(3-cyclobutylphenyl)-(2,5-dimethylfuran-3-yl)methanol
CID 115838981
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192
(3-cyclopropylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 79980572

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol (CID 103408312) is (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol is Cc1csc(C(O)c2cccc(C3CCC3)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
The InChIKey is QWMGSMLJBSAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClOS/c1-10-9-19-16(14(10)17)15(18)13-7-3-6-12(8-13)11-4-2-5-11/h3,6-9,11,15,18H,2,4-5H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol has a molecular weight of 292.83 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol is sourced from PubChem (CID 103408312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).