1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol

C13H19BrOS — CID 65148847

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(Cc2ccc(Br)s2)C1
InChIInChI=1S/C13H19BrOS/c1-2-10-4-3-7-13(15,8-10)9-11-5-6-12(14)16-11/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyWYLGPSDNJAZRPD-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.38
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol

1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol (PubChem CID 65148847) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol
PubChem CID65148847
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol
SMILESCCC1CCCC(O)(Cc2ccc(Br)s2)C1
InChIInChI=1S/C13H19BrOS/c1-2-10-4-3-7-13(15,8-10)9-11-5-6-12(14)16-11/h5-6,10,15H,2-4,7-9H2,1H3
InChIKeyWYLGPSDNJAZRPD-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol (CID 65148847) is 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol is CCC1CCCC(O)(Cc2ccc(Br)s2)C1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol?
The InChIKey is WYLGPSDNJAZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-2-10-4-3-7-13(15,8-10)9-11-5-6-12(14)16-11/h5-6,10,15H,2-4,7-9H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol?
1-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclohexan-1-ol has a molecular weight of 303.26 g/mol, XLogP of 4.38, 3 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]-3-ethylcyclohexan-1-ol is sourced from PubChem (CID 65148847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).