1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C16H25BrOS — CID 65147375

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C16H25BrOS/c1-4-15(2,3)12-7-9-16(18,10-8-12)11-13-5-6-14(17)19-13/h5-6,12,18H,4,7-11H2,1-3H3
InChIKeyHPTZJPCBTRUDCW-UHFFFAOYSA-N
MW345.35 g/mol
LogP5.41
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 65147375) has the molecular formula C16H25BrOS and a molecular weight of 345.35 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID65147375
Molecular FormulaC16H25BrOS
Molecular Weight345.35 g/mol
Exact Mass344.08
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C16H25BrOS/c1-4-15(2,3)12-7-9-16(18,10-8-12)11-13-5-6-14(17)19-13/h5-6,12,18H,4,7-11H2,1-3H3
InChIKeyHPTZJPCBTRUDCW-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 65147375) is 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is HPTZJPCBTRUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrOS/c1-4-15(2,3)12-7-9-16(18,10-8-12)11-13-5-6-14(17)19-13/h5-6,12,18H,4,7-11H2,1-3H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 345.35 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 65147375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).