(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol

C13H20O2S — CID 116753501

IUPAC(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
SMILESCOC1(C(O)c2csc(C)c2)CCCCC1
InChIInChI=1S/C13H20O2S/c1-10-8-11(9-16-10)12(14)13(15-2)6-4-3-5-7-13/h8-9,12,14H,3-7H2,1-2H3
InChIKeyJEGQNIJAWZGHJD-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.44
Rot. Bonds3

About (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol

(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 116753501) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
PubChem CID116753501
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
SMILESCOC1(C(O)c2csc(C)c2)CCCCC1
InChIInChI=1S/C13H20O2S/c1-10-8-11(9-16-10)12(14)13(15-2)6-4-3-5-7-13/h8-9,12,14H,3-7H2,1-2H3
InChIKeyJEGQNIJAWZGHJD-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105278327
N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(3,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116755791
(5-methylthiophen-3-yl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79059249
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441
(3-chlorothiophen-2-yl)-(1-methoxycycloheptyl)methanol
CID 107359647
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
[1-(diethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanol
CID 79070099
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol (CID 116753501) is (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol is COC1(C(O)c2csc(C)c2)CCCCC1.
What is the InChIKey of (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is JEGQNIJAWZGHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-10-8-11(9-16-10)12(14)13(15-2)6-4-3-5-7-13/h8-9,12,14H,3-7H2,1-2H3.
What are the key properties of (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol?
(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 240.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 116753501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).