1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol

C13H19BrOS — CID 107449913

IUPAC1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2sccc2Br)C1
InChIInChI=1S/C13H19BrOS/c1-9(2)10-4-3-6-13(15,8-10)12-11(14)5-7-16-12/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyPNQDXQVTPAHOOI-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.54
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol

1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449913) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449913
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(c2sccc2Br)C1
InChIInChI=1S/C13H19BrOS/c1-9(2)10-4-3-6-13(15,8-10)12-11(14)5-7-16-12/h5,7,9-10,15H,3-4,6,8H2,1-2H3
InChIKeyPNQDXQVTPAHOOI-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107450157
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63411417
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086657
1-(3-bromothiophen-2-yl)-3,3-dimethylcyclopentan-1-ol
CID 80700150
1-(3-bromo-2,4-dimethoxyphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449740
3-propan-2-yl-1-(2,3,4-trifluorophenyl)cyclohexan-1-ol
CID 107449831
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
3-(3-bromothiophen-2-yl)-3-methylcyclopentan-1-ol
CID 116540088
1-(2,3-dihydro-1-benzofuran-5-yl)-3-propan-2-ylcyclohexan-1-ol
CID 107449797

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol (CID 107449913) is 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(c2sccc2Br)C1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is PNQDXQVTPAHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-9(2)10-4-3-6-13(15,8-10)12-11(14)5-7-16-12/h5,7,9-10,15H,3-4,6,8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol?
1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 303.26 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).