2-cyclohexyl-4-thiophen-3-ylbutan-2-ol

C14H22OS — CID 114795051

IUPAC2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
SMILESCC(O)(CCc1ccsc1)C1CCCCC1
InChIInChI=1S/C14H22OS/c1-14(15,13-5-3-2-4-6-13)9-7-12-8-10-16-11-12/h8,10-11,13,15H,2-7,9H2,1H3
InChIKeyYUPUOHGHKLZIIY-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.01
Rot. Bonds4

About 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol

2-cyclohexyl-4-thiophen-3-ylbutan-2-ol (PubChem CID 114795051) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
PubChem CID114795051
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
SMILESCC(O)(CCc1ccsc1)C1CCCCC1
InChIInChI=1S/C14H22OS/c1-14(15,13-5-3-2-4-6-13)9-7-12-8-10-16-11-12/h8,10-11,13,15H,2-7,9H2,1H3
InChIKeyYUPUOHGHKLZIIY-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

3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
methyl 2-(aminomethyl)-2-cyclopropyl-4-thiophen-3-ylbutanoate
CID 106489509
N-(2-cyclopropyl-2-methyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 83160154
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197
1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
3-(2-cyclopropylethyl)thiophene
CID 159324839
2-cyclohexylpentan-2-ol
CID 75245103
1-(4-tert-butylcyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 65402918
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
2-cyclohexyl-1-(4-methylphenyl)propan-2-ol
CID 114794900
1-cyclobutyl-3-thiophen-3-ylpropan-1-one
CID 64981798
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol?
The IUPAC name of 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol (CID 114795051) is 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol is CC(O)(CCc1ccsc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol?
The InChIKey is YUPUOHGHKLZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-14(15,13-5-3-2-4-6-13)9-7-12-8-10-16-11-12/h8,10-11,13,15H,2-7,9H2,1H3.
What are the key properties of 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol?
2-cyclohexyl-4-thiophen-3-ylbutan-2-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 2-cyclohexyl-4-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 114795051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).