(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol

C14H22OS — CID 64739414

IUPAC(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)C2CCC(C)C(C)C2)s1
InChIInChI=1S/C14H22OS/c1-9-4-6-12(8-10(9)2)14(15)13-7-5-11(3)16-13/h5,7,9-10,12,14-15H,4,6,8H2,1-3H3
InChIKeyRREVBZQSJSVREP-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.16
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol

(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol (PubChem CID 64739414) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
PubChem CID64739414
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)C2CCC(C)C(C)C2)s1
InChIInChI=1S/C14H22OS/c1-9-4-6-12(8-10(9)2)14(15)13-7-5-11(3)16-13/h5,7,9-10,12,14-15H,4,6,8H2,1-3H3
InChIKeyRREVBZQSJSVREP-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(2-thienyl)methanol
CID 2741016
(2-(Thiophen-2-yl)phenyl)methanol
CID 2795559
[4-(4-Fluorophenyl)-2,5-di(propan-2-yl)thiophen-3-yl]methanol
CID 10957303
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459
[4-(4-Fluorophenyl)-5-(2-methylprop-1-enyl)-2-propan-2-ylthiophen-3-yl]methanol
CID 134907239
(5-Methylthiophen-2-yl)-phenylmethanol
CID 6624793
1-(2-Thiophen-2-ylphenyl)pentan-1-ol
CID 177643111
(3,5-Dibutyl-2-thiophen-2-ylphenyl)methanol
CID 11220386
(S)-(4-methylphenyl)-thiophen-2-ylmethanol
CID 92981469
(S)-2-thienylphenylmethanol
CID 714902
Phenyl(thiophen-3-yl)methanol
CID 10103995
p-Tolyl a-thienyl carbinol
CID 10774571

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol (CID 64739414) is (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)C2CCC(C)C(C)C2)s1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is RREVBZQSJSVREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-9-4-6-12(8-10(9)2)14(15)13-7-5-11(3)16-13/h5,7,9-10,12,14-15H,4,6,8H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol?
(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 238.40 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 64739414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).