1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol

C14H22OS — CID 106830888

IUPAC1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
SMILESCC1(C(O)CCc2cccs2)CCCCC1
InChIInChI=1S/C14H22OS/c1-14(9-3-2-4-10-14)13(15)8-7-12-6-5-11-16-12/h5-6,11,13,15H,2-4,7-10H2,1H3
InChIKeyBWNZGQICMRBPII-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.01
Rot. Bonds4

About 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol

1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 106830888) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID106830888
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol
SMILESCC1(C(O)CCc2cccs2)CCCCC1
InChIInChI=1S/C14H22OS/c1-14(9-3-2-4-10-14)13(15)8-7-12-6-5-11-16-12/h5-6,11,13,15H,2-4,7-10H2,1H3
InChIKeyBWNZGQICMRBPII-UHFFFAOYSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 115800364
1-(1-methylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 115860707
1-(1-morpholin-4-ylcyclopentyl)-3-thiophen-2-ylpropan-1-ol
CID 79059782
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
1-[1-(2-thiophen-2-ylethyl)cyclopropyl]ethanol
CID 106798156
N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116763172
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
1-(1-piperidin-1-ylcyclopentyl)-3-thiophen-2-ylpropan-1-amine
CID 79059762

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol (CID 106830888) is 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol is CC1(C(O)CCc2cccs2)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is BWNZGQICMRBPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-14(9-3-2-4-10-14)13(15)8-7-12-6-5-11-16-12/h5-6,11,13,15H,2-4,7-10H2,1H3.
What are the key properties of 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol?
1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 106830888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).