1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol

C12H17BrOS — CID 65147574

IUPAC1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C12H17BrOS/c1-9-2-4-12(14,5-3-9)7-11-6-10(13)8-15-11/h6,8-9,14H,2-5,7H2,1H3
InChIKeyDYYJSDSEBOKILU-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.99
Rot. Bonds2

About 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol

1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65147574) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
PubChem CID65147574
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2cc(Br)cs2)CC1
InChIInChI=1S/C12H17BrOS/c1-9-2-4-12(14,5-3-9)7-11-6-10(13)8-15-11/h6,8-9,14H,2-5,7H2,1H3
InChIKeyDYYJSDSEBOKILU-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcycloheptan-1-ol
CID 65151469
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 65395743
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328
4-[(4-bromothiophen-2-yl)methyl]-2-ethyloxan-4-ol
CID 65149472
4-[(4-bromothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153881
3-[(4-bromothiophen-2-yl)methyl]oxan-3-ol
CID 65149057
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441733
1-[(4-bromothiophen-2-yl)methyl]-4-tert-butylcyclohexane-1-carboxylic acid
CID 63402689
1-[(4-bromothiophen-2-yl)methyl]-2-methylsulfonylcyclopentan-1-ol
CID 65154190
2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol (CID 65147574) is 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(Cc2cc(Br)cs2)CC1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is DYYJSDSEBOKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-9-2-4-12(14,5-3-9)7-11-6-10(13)8-15-11/h6,8-9,14H,2-5,7H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol?
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 289.24 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65147574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).