1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol

C13H19BrOS — CID 65149116

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2sccc2Br)CC1
InChIInChI=1S/C13H19BrOS/c1-12(2)4-6-13(15,7-5-12)9-11-10(14)3-8-16-11/h3,8,15H,4-7,9H2,1-2H3
InChIKeyJSCLZGVWPHMGEJ-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.38
Rot. Bonds2

About 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65149116) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65149116
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2sccc2Br)CC1
InChIInChI=1S/C13H19BrOS/c1-12(2)4-6-13(15,7-5-12)9-11-10(14)3-8-16-11/h3,8,15H,4-7,9H2,1-2H3
InChIKeyJSCLZGVWPHMGEJ-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 63411417
1-[(3-bromothiophen-2-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564529
4-[(3-bromothiophen-2-yl)methyl]-1-propan-2-ylazepan-4-ol
CID 65151648
1-[(3-bromothiophen-2-yl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 65154109
1-[(3-bromothiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106663751
1-[(3-bromothiophen-2-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64773953
4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115591
1-[(3-bromothiophen-2-yl)methyl]-2-cyclohexylcyclohexan-1-ol
CID 65147937
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 79701214
2-[(3-bromothiophen-2-yl)methyl]adamantan-2-ol
CID 114082143
1-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151707
2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
CID 115790909

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol (CID 65149116) is 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(Cc2sccc2Br)CC1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is JSCLZGVWPHMGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-12(2)4-6-13(15,7-5-12)9-11-10(14)3-8-16-11/h3,8,15H,4-7,9H2,1-2H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 303.26 g/mol, XLogP of 4.38, 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)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65149116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).