(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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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).