2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol

C15H15BrOS — CID 79980714

IUPAC2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
SMILESOC(Cc1sccc1Br)c1cccc(C2CC2)c1
InChIInChI=1S/C15H15BrOS/c16-13-6-7-18-15(13)9-14(17)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-8,10,14,17H,4-5,9H2
InChIKeyITUNFJHPPRJTPI-UHFFFAOYSA-N
MW323.26 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol

2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol (PubChem CID 79980714) has the molecular formula C15H15BrOS and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
PubChem CID79980714
Molecular FormulaC15H15BrOS
Molecular Weight323.26 g/mol
Exact Mass322.00
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
SMILESOC(Cc1sccc1Br)c1cccc(C2CC2)c1
InChIInChI=1S/C15H15BrOS/c16-13-6-7-18-15(13)9-14(17)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-8,10,14,17H,4-5,9H2
InChIKeyITUNFJHPPRJTPI-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 54.66
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)-1-(3-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol (CID 79980714) is 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol is OC(Cc1sccc1Br)c1cccc(C2CC2)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol?
The InChIKey is ITUNFJHPPRJTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrOS/c16-13-6-7-18-15(13)9-14(17)12-3-1-2-11(8-12)10-4-5-10/h1-3,6-8,10,14,17H,4-5,9H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol has a molecular weight of 323.26 g/mol, XLogP of 4.66, 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)-1-(3-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79980714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).