5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol

C15H13BrO — CID 162361461

IUPAC5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESOc1cc(Br)ccc1C/C=C/c1ccccc1
InChIInChI=1S/C15H13BrO/c16-14-10-9-13(15(17)11-14)8-4-7-12-5-2-1-3-6-12/h1-7,9-11,17H,8H2/b7-4+
InChIKeyQAYDTZNDIPMEFY-QPJJXVBHSA-N
MW289.17 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol

5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol (PubChem CID 162361461) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
PubChem CID162361461
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol
SMILESOc1cc(Br)ccc1C/C=C/c1ccccc1
InChIInChI=1S/C15H13BrO/c16-14-10-9-13(15(17)11-14)8-4-7-12-5-2-1-3-6-12/h1-7,9-11,17H,8H2/b7-4+
InChIKeyQAYDTZNDIPMEFY-QPJJXVBHSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-4-[(E)-3-phenylprop-2-enyl]benzonitrile
CID 162361494
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
1-bromo-2-[(E)-3-phenylprop-2-enyl]benzene
CID 10923714
2-methyl-4-[(E)-3-phenylprop-2-enyl]benzene-1,3-diol
CID 14224897
4-ethyl-2-[(E)-3-phenylprop-2-enyl]phenol
CID 12564792
2-bromo-4-methoxy-1-[(E)-3-phenylprop-2-enyl]benzene
CID 141285952
4-methoxy-2-[(Z)-3-phenylprop-2-enyl]phenol
CID 10263673
1-[(E)-3-(4-bromophenyl)prop-2-enyl]-2,4-difluorobenzene
CID 24762261
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
1-(2-bromopropan-2-yl)-2-(3-phenylprop-2-enyl)benzene
CID 141008149
1,3-dibromo-5-(2-phenylethenyl)benzene
CID 74389715
2-[(4-bromo-2-hydroxyphenyl)methyl]benzoic acid
CID 67045068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol?
The IUPAC name of 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol (CID 162361461) is 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol.
What is the SMILES notation for 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol?
The canonical SMILES for 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol is Oc1cc(Br)ccc1C/C=C/c1ccccc1.
What is the InChIKey of 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol?
The InChIKey is QAYDTZNDIPMEFY-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H13BrO/c16-14-10-9-13(15(17)11-14)8-4-7-12-5-2-1-3-6-12/h1-7,9-11,17H,8H2/b7-4+.
What are the key properties of 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol?
5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol has a molecular weight of 289.17 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(E)-3-phenylprop-2-enyl]phenol is sourced from PubChem (CID 162361461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).