2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol

C17H17BrOS — CID 79438467

IUPAC2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol
SMILESOCC(CC1Cc2ccccc2S1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrOS/c18-15-7-5-12(6-8-15)14(11-19)10-16-9-13-3-1-2-4-17(13)20-16/h1-8,14,16,19H,9-11H2
InChIKeyUKELKGUFVJEXBL-UHFFFAOYSA-N
MW349.29 g/mol
LogP4.63
Rot. Bonds4

About 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol

2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol (PubChem CID 79438467) has the molecular formula C17H17BrOS and a molecular weight of 349.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol
PubChem CID79438467
Molecular FormulaC17H17BrOS
Molecular Weight349.29 g/mol
Exact Mass348.02
IUPAC Name2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol
SMILESOCC(CC1Cc2ccccc2S1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrOS/c18-15-7-5-12(6-8-15)14(11-19)10-16-9-13-3-1-2-4-17(13)20-16/h1-8,14,16,19H,9-11H2
InChIKeyUKELKGUFVJEXBL-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Phenyl-2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 457216
2-[(4-Bromo-2-fluorophenyl)-(4-fluorophenyl)sulfanylmethyl]propane-1,3-diol
CID 122669245
2-[(4-Bromo-2-fluorophenyl)-(4-methylphenyl)sulfanylmethyl]propane-1,3-diol
CID 145184215
(1R)-1-[(3R)-2-methylidene-3H-1-benzothiophen-3-yl]-3-phenylpropan-1-ol
CID 132560198
(R)-cyclohexyl-[(3S)-2-methylidene-3H-1-benzothiophen-3-yl]methanol
CID 134954963
1-(4-Bromo-2-fluorophenyl)-3-phenylsulfanylpropan-2-ol
CID 65141961
1-(4-Bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051907
1-(4-Bromo-2-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065979
1-(4-Bromophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071037
1-(4-Bromophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66072624
1-(4-Bromo-2-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66086593
1-(4-Bromo-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096938

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol?
The IUPAC name of 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol (CID 79438467) is 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol is OCC(CC1Cc2ccccc2S1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol?
The InChIKey is UKELKGUFVJEXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrOS/c18-15-7-5-12(6-8-15)14(11-19)10-16-9-13-3-1-2-4-17(13)20-16/h1-8,14,16,19H,9-11H2.
What are the key properties of 2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol?
2-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol has a molecular weight of 349.29 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-(4-bromophenyl)-3-(2,3-dihydro-1-benzothiophen-2-yl)propan-1-ol is sourced from PubChem (CID 79438467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).