2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid

C17H24O3S — CID 107431950

IUPAC2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C1(O)CCCCC1C1CCCCC1
InChIInChI=1S/C17H24O3S/c18-16(19)13-9-11-21-15(13)17(20)10-5-4-8-14(17)12-6-2-1-3-7-12/h9,11-12,14,20H,1-8,10H2,(H,18,19)
InChIKeyYKHZXHNAZISZLN-UHFFFAOYSA-N
MW308.44 g/mol
LogP4.40
Rot. Bonds3

About 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid

2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid (PubChem CID 107431950) has the molecular formula C17H24O3S and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid
PubChem CID107431950
Molecular FormulaC17H24O3S
Molecular Weight308.44 g/mol
Exact Mass308.14
IUPAC Name2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C1(O)CCCCC1C1CCCCC1
InChIInChI=1S/C17H24O3S/c18-16(19)13-9-11-21-15(13)17(20)10-5-4-8-14(17)12-6-2-1-3-7-12/h9,11-12,14,20H,1-8,10H2,(H,18,19)
InChIKeyYKHZXHNAZISZLN-UHFFFAOYSA-N
XLogP4.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid
CID 107432612
2-(1-hydroxy-4-oxocyclohexyl)thiophene-3-carboxylic acid
CID 107432346
2-(1-hydroxy-2,4,4-trimethylcyclohexyl)thiophene-3-carboxylic acid
CID 107432456
2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid
CID 107432478
2-cyclohexyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 60794929
1-[(3-bromothiophen-2-yl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 65147937
1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol
CID 63950627
2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107431968
2-cyclohexyl-1-(3-fluorophenyl)cyclohexan-1-ol
CID 60794928
2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol
CID 63406702
2-aminothiophene-3-carboxylic acid;cyclohexane
CID 22053869
(1S,2S,15S)-2-phenylbicyclo[13.1.0]hexadecan-2-ol
CID 10567298

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid (CID 107431950) is 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1C1(O)CCCCC1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid?
The InChIKey is YKHZXHNAZISZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3S/c18-16(19)13-9-11-21-15(13)17(20)10-5-4-8-14(17)12-6-2-1-3-7-12/h9,11-12,14,20H,1-8,10H2,(H,18,19).
What are the key properties of 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid?
2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid has a molecular weight of 308.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107431950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).