2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol

C10H13BrO2S — CID 130360823

IUPAC2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol
SMILESOC1CCCC1C(O)c1sccc1Br
InChIInChI=1S/C10H13BrO2S/c11-7-4-5-14-10(7)9(13)6-2-1-3-8(6)12/h4-6,8-9,12-13H,1-3H2
InChIKeyNJXKPSZYASYUGG-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.70
Rot. Bonds2

About 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol

2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 130360823) has the molecular formula C10H13BrO2S and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID130360823
Molecular FormulaC10H13BrO2S
Molecular Weight277.18 g/mol
Exact Mass275.98
IUPAC Name2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol
SMILESOC1CCCC1C(O)c1sccc1Br
InChIInChI=1S/C10H13BrO2S/c11-7-4-5-14-10(7)9(13)6-2-1-3-8(6)12/h4-6,8-9,12-13H,1-3H2
InChIKeyNJXKPSZYASYUGG-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115380927
2-[(3-bromothiophen-2-yl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392585
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
1-[(3-bromothiophen-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103451994
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
3-[bromo-(3-bromothiophen-2-yl)methyl]oxane
CID 80536906
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
(3-bromothiophen-2-yl)-(cyclohexen-1-yl)methanol
CID 63796459

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol (CID 130360823) is 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol is OC1CCCC1C(O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is NJXKPSZYASYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2S/c11-7-4-5-14-10(7)9(13)6-2-1-3-8(6)12/h4-6,8-9,12-13H,1-3H2.
What are the key properties of 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol?
2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 277.18 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 130360823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).