2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol

C14H21BrOS — CID 55193585

IUPAC2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(Cc2sccc2Br)C1
InChIInChI=1S/C14H21BrOS/c1-2-3-10-4-5-13(16)11(8-10)9-14-12(15)6-7-17-14/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyRMZCTATWVOHNAG-UHFFFAOYSA-N
MW317.29 g/mol
LogP4.63
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol

2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 55193585) has the molecular formula C14H21BrOS and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
PubChem CID55193585
Molecular FormulaC14H21BrOS
Molecular Weight317.29 g/mol
Exact Mass316.05
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(Cc2sccc2Br)C1
InChIInChI=1S/C14H21BrOS/c1-2-3-10-4-5-13(16)11(8-10)9-14-12(15)6-7-17-14/h6-7,10-11,13,16H,2-5,8-9H2,1H3
InChIKeyRMZCTATWVOHNAG-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol (CID 55193585) is 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(Cc2sccc2Br)C1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is RMZCTATWVOHNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrOS/c1-2-3-10-4-5-13(16)11(8-10)9-14-12(15)6-7-17-14/h6-7,10-11,13,16H,2-5,8-9H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol?
2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 317.29 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55193585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).