1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol

C12H17BrOS — CID 79596262

IUPAC1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2cscc2Br)C1C
InChIInChI=1S/C12H17BrOS/c1-8-4-3-5-12(14,9(8)2)10-6-15-7-11(10)13/h6-9,14H,3-5H2,1-2H3
InChIKeyDPXLPWFBCNLNKM-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.15
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol

1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol (PubChem CID 79596262) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol
PubChem CID79596262
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(c2cscc2Br)C1C
InChIInChI=1S/C12H17BrOS/c1-8-4-3-5-12(14,9(8)2)10-6-15-7-11(10)13/h6-9,14H,3-5H2,1-2H3
InChIKeyDPXLPWFBCNLNKM-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol (CID 79596262) is 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(c2cscc2Br)C1C.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol?
The InChIKey is DPXLPWFBCNLNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-8-4-3-5-12(14,9(8)2)10-6-15-7-11(10)13/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol?
1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol has a molecular weight of 289.24 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79596262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).