(3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol

C17H19BrOS — CID 130360726

IUPAC(3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol
SMILESOC(c1sccc1Br)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H19BrOS/c18-15-10-11-20-17(15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,10-11,13-14,16,19H,6-9H2
InChIKeyITPRQLQXRFFTNI-UHFFFAOYSA-N
MW351.31 g/mol
LogP5.52
Rot. Bonds3

About (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol

(3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol (PubChem CID 130360726) has the molecular formula C17H19BrOS and a molecular weight of 351.31 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol
PubChem CID130360726
Molecular FormulaC17H19BrOS
Molecular Weight351.31 g/mol
Exact Mass350.03
IUPAC Name(3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol
SMILESOC(c1sccc1Br)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H19BrOS/c18-15-10-11-20-17(15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,10-11,13-14,16,19H,6-9H2
InChIKeyITPRQLQXRFFTNI-UHFFFAOYSA-N
XLogP5.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.31
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol?
The IUPAC name of (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol (CID 130360726) is (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol is OC(c1sccc1Br)C1CCC(c2ccccc2)CC1.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol?
The InChIKey is ITPRQLQXRFFTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrOS/c18-15-10-11-20-17(15)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-5,10-11,13-14,16,19H,6-9H2.
What are the key properties of (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol?
(3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol has a molecular weight of 351.31 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-phenylcyclohexyl)methanol is sourced from PubChem (CID 130360726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).