(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol

C12H18OS — CID 102831364

IUPAC(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)C1CCC(C)C1
InChIInChI=1S/C12H18OS/c1-8-3-4-10(7-8)12(13)11-5-6-14-9(11)2/h5-6,8,10,12-13H,3-4,7H2,1-2H3
InChIKeyDYYLZQQHLHHXKR-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.53
Rot. Bonds2

About (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol

(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102831364) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
PubChem CID102831364
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)C1CCC(C)C1
InChIInChI=1S/C12H18OS/c1-8-3-4-10(7-8)12(13)11-5-6-14-9(11)2/h5-6,8,10,12-13H,3-4,7H2,1-2H3
InChIKeyDYYLZQQHLHHXKR-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
CID 102831356
(3-methylcyclopentyl)-thiophen-2-ylmethanol
CID 65401338
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929
(3-bromo-2-fluorophenyl)-(3-methylcyclopentyl)methanol
CID 106645085
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
[(3-methylcyclopentyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105233223
(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 102831462
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102831517
[(1R,3S)-3-methylcyclopentyl]methanediol
CID 163440646

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol (CID 102831364) is (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)C1CCC(C)C1.
What is the InChIKey of (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is DYYLZQQHLHHXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-8-3-4-10(7-8)12(13)11-5-6-14-9(11)2/h5-6,8,10,12-13H,3-4,7H2,1-2H3.
What are the key properties of (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol?
(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 210.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102831364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).