(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol

C12H16BrClOS — CID 107181811

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H16BrClOS/c1-12(2)5-3-4-7(12)10(15)9-6-8(14)11(13)16-9/h6-7,10,15H,3-5H2,1-2H3
InChIKeyUMICNZOTWOIGQK-UHFFFAOYSA-N
MW323.68 g/mol
LogP5.02
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol

(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol (PubChem CID 107181811) has the molecular formula C12H16BrClOS and a molecular weight of 323.68 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
PubChem CID107181811
Molecular FormulaC12H16BrClOS
Molecular Weight323.68 g/mol
Exact Mass321.98
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol
SMILESCC1(C)CCCC1C(O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H16BrClOS/c1-12(2)5-3-4-7(12)10(15)9-6-8(14)11(13)16-9/h6-7,10,15H,3-5H2,1-2H3
InChIKeyUMICNZOTWOIGQK-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.68
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopropyl)methanol
CID 107002549
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299
(5-bromo-4-chlorothiophen-2-yl)-(oxan-3-yl)methanol
CID 80532330
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
2,3-dibromo-5-[chloro-(2,2-dimethylcyclohexyl)methyl]thiophene
CID 107182521
(4-bromo-5-chloro-2-fluorophenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107181881
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
2-[bromo-(2,2-dimethylcyclopentyl)methyl]-5-chlorothiophene
CID 107182254
N-[(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107177972
2-bromo-5-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-chlorothiophene
CID 80533486
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181706

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol (CID 107181811) is (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol is CC1(C)CCCC1C(O)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol?
The InChIKey is UMICNZOTWOIGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClOS/c1-12(2)5-3-4-7(12)10(15)9-6-8(14)11(13)16-9/h6-7,10,15H,3-5H2,1-2H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol?
(5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol has a molecular weight of 323.68 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanol is sourced from PubChem (CID 107181811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).