(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol

C14H22O2S — CID 116755748

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
SMILESCOC1(C(O)c2cccs2)CCC(C)(C)CC1
InChIInChI=1S/C14H22O2S/c1-13(2)6-8-14(16-3,9-7-13)12(15)11-5-4-10-17-11/h4-5,10,12,15H,6-9H2,1-3H3
InChIKeyXUXFSFFATOTUCF-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.77
Rot. Bonds3

About (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol

(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol (PubChem CID 116755748) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
PubChem CID116755748
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
SMILESCOC1(C(O)c2cccs2)CCC(C)(C)CC1
InChIInChI=1S/C14H22O2S/c1-13(2)6-8-14(16-3,9-7-13)12(15)11-5-4-10-17-11/h4-5,10,12,15H,6-9H2,1-3H3
InChIKeyXUXFSFFATOTUCF-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116768795
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755728
(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
CID 103451819
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836256
(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755731
4,4-dimethyl-1-[(1-thiophen-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65116662

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol (CID 116755748) is (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol is COC1(C(O)c2cccs2)CCC(C)(C)CC1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol?
The InChIKey is XUXFSFFATOTUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-13(2)6-8-14(16-3,9-7-13)12(15)11-5-4-10-17-11/h4-5,10,12,15H,6-9H2,1-3H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol?
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol has a molecular weight of 254.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 116755748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).