(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol

C14H22OS — CID 106828260

IUPAC(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol
SMILESCCc1ccc(C(O)C2(C)CCCCC2)s1
InChIInChI=1S/C14H22OS/c1-3-11-7-8-12(16-11)13(15)14(2)9-5-4-6-10-14/h7-8,13,15H,3-6,9-10H2,1-2H3
InChIKeyILSZBRZYNJKYQH-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.31
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol

(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol (PubChem CID 106828260) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol
PubChem CID106828260
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol
SMILESCCc1ccc(C(O)C2(C)CCCCC2)s1
InChIInChI=1S/C14H22OS/c1-3-11-7-8-12(16-11)13(15)14(2)9-5-4-6-10-14/h7-8,13,15H,3-6,9-10H2,1-2H3
InChIKeyILSZBRZYNJKYQH-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol (CID 106828260) is (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol is CCc1ccc(C(O)C2(C)CCCCC2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol?
The InChIKey is ILSZBRZYNJKYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-3-11-7-8-12(16-11)13(15)14(2)9-5-4-6-10-14/h7-8,13,15H,3-6,9-10H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol?
(5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol has a molecular weight of 238.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106828260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).