(E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol

C16H15BrOS — CID 102598974

IUPAC(E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol
SMILESOC(C/C=C/Sc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H15BrOS/c17-15-10-5-4-9-14(15)16(18)11-6-12-19-13-7-2-1-3-8-13/h1-10,12,16,18H,11H2/b12-6+
InChIKeyZZIXENSDVKCLAD-WUXMJOGZSA-N
MW335.27 g/mol
LogP5.18
Rot. Bonds5

About (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol

(E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol (PubChem CID 102598974) has the molecular formula C16H15BrOS and a molecular weight of 335.27 g/mol. Its IUPAC name is (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol
PubChem CID102598974
Molecular FormulaC16H15BrOS
Molecular Weight335.27 g/mol
Exact Mass334.00
IUPAC Name(E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol
SMILESOC(C/C=C/Sc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H15BrOS/c17-15-10-5-4-9-14(15)16(18)11-6-12-19-13-7-2-1-3-8-13/h1-10,12,16,18H,11H2/b12-6+
InChIKeyZZIXENSDVKCLAD-WUXMJOGZSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.27
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Bromo-alpha-phenylbenzenemethanol
CID 11425518
(S)-(2-bromophenyl)-phenylmethanol
CID 11615899
1-Phenyl-3-(phenylthio)propan-1-ol
CID 12488334
alpha-(2-Bromophenyl)-2-thiophenemethanol
CID 21428786
(1R)-1-phenyl-3-phenylsulfanylpropan-1-ol
CID 93514489
2-[(4-Bromophenyl)sulfanyl]-1,1-diphenyl-1-ethanol
CID 2765149
1-Phenyl-2-phenylsulfanylprop-2-en-1-ol
CID 12462460
(E,1R)-1-(2-bromophenyl)-3-phenylprop-2-en-1-ol
CID 134972554
(E)-3-(2-bromophenyl)-1-phenylprop-2-en-1-ol
CID 10266160
1-Phenyl-2-(phenylthio)ethanol
CID 11117871
(R)-(2-bromophenyl)-phenylmethanol
CID 11402799
1-(2-Bromo-phenyl)-2-phenyl-ethanol
CID 12715432

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol?
The IUPAC name of (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol (CID 102598974) is (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol.
What is the SMILES notation for (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol?
The canonical SMILES for (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol is OC(C/C=C/Sc1ccccc1)c1ccccc1Br.
What is the InChIKey of (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol?
The InChIKey is ZZIXENSDVKCLAD-WUXMJOGZSA-N. The full InChI is InChI=1S/C16H15BrOS/c17-15-10-5-4-9-14(15)16(18)11-6-12-19-13-7-2-1-3-8-13/h1-10,12,16,18H,11H2/b12-6+.
What are the key properties of (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol?
(E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol has a molecular weight of 335.27 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromophenyl)-4-phenylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 102598974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).