2-(4-bromothiophen-3-yl)cyclohexan-1-ol

C10H13BrOS — CID 79602287

IUPAC2-(4-bromothiophen-3-yl)cyclohexan-1-ol
SMILESOC1CCCCC1c1cscc1Br
InChIInChI=1S/C10H13BrOS/c11-9-6-13-5-8(9)7-3-1-2-4-10(7)12/h5-7,10,12H,1-4H2
InChIKeyWNYZNIAFZRHMKF-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.53
Rot. Bonds1

About 2-(4-bromothiophen-3-yl)cyclohexan-1-ol

2-(4-bromothiophen-3-yl)cyclohexan-1-ol (PubChem CID 79602287) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)cyclohexan-1-ol
PubChem CID79602287
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name2-(4-bromothiophen-3-yl)cyclohexan-1-ol
SMILESOC1CCCCC1c1cscc1Br
InChIInChI=1S/C10H13BrOS/c11-9-6-13-5-8(9)7-3-1-2-4-10(7)12/h5-7,10,12H,1-4H2
InChIKeyWNYZNIAFZRHMKF-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromothiophen-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105113136
(4-Bromothiophen-3-yl)-(4,4-difluorocyclohexyl)methanol
CID 105113164
(4-Bromothiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105113167
(4-Bromothiophen-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105113251
2-(Thiophen-3-yl)cyclohexan-1-ol
CID 14005677
trans-(1S,2R)-2-(4-bromo-2,5-dimethylthiophen-3-yl)cyclohexan-1-ol
CID 58667148
(1S)-2-(4-bromo-2,5-dimethylthiophen-3-yl)cyclohexan-1-ol
CID 164129732
trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol
CID 14005678
2-(4-Bromo-2,5-dimethylthiophen-3-yl)cyclohexan-1-ol
CID 23542419
2-[(4-Bromothiophen-2-yl)methyl]cyclohexan-1-ol
CID 61744872
1-(3-Bromothiophen-2-yl)-4-phenylbutan-2-ol
CID 62606159
2-(4-Bromothiophen-2-yl)-1-cyclohexylethanol
CID 62606517

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)cyclohexan-1-ol?
The IUPAC name of 2-(4-bromothiophen-3-yl)cyclohexan-1-ol (CID 79602287) is 2-(4-bromothiophen-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(4-bromothiophen-3-yl)cyclohexan-1-ol is OC1CCCCC1c1cscc1Br.
What is the InChIKey of 2-(4-bromothiophen-3-yl)cyclohexan-1-ol?
The InChIKey is WNYZNIAFZRHMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c11-9-6-13-5-8(9)7-3-1-2-4-10(7)12/h5-7,10,12H,1-4H2.
What are the key properties of 2-(4-bromothiophen-3-yl)cyclohexan-1-ol?
2-(4-bromothiophen-3-yl)cyclohexan-1-ol has a molecular weight of 261.18 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 79602287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).