3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile

C15H10BrNO — CID 167329082

IUPAC3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile
SMILESC=Cc1ccc(-c2cc(C#N)cc(Br)c2O)cc1
InChIInChI=1S/C15H10BrNO/c1-2-10-3-5-12(6-4-10)13-7-11(9-17)8-14(16)15(13)18/h2-8,18H,1H2
InChIKeyASPGZXGRDYDSRU-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.34
Rot. Bonds2

About 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile

3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile (PubChem CID 167329082) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile
PubChem CID167329082
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile
SMILESC=Cc1ccc(-c2cc(C#N)cc(Br)c2O)cc1
InChIInChI=1S/C15H10BrNO/c1-2-10-3-5-12(6-4-10)13-7-11(9-17)8-14(16)15(13)18/h2-8,18H,1H2
InChIKeyASPGZXGRDYDSRU-UHFFFAOYSA-N
XLogP4.34
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-(4-tert-butylphenyl)-4-hydroxybenzonitrile
CID 167328994
3-bromo-5-(3-cyanophenyl)-4-hydroxybenzonitrile
CID 167329094
3-bromo-4-hydroxy-5-[4-(methoxymethyl)phenyl]benzonitrile
CID 167329125
3-bromo-5-(3,5-dimethoxyphenyl)-4-hydroxybenzonitrile
CID 167329088
3-bromo-4-hydroxy-5-pyridin-3-ylbenzonitrile
CID 167329027
3-(1,3-benzodioxol-5-yl)-5-bromo-4-hydroxybenzonitrile
CID 167329048
5-(3-bromo-5-cyano-2-hydroxyphenyl)pyrimidine-2-carbonitrile
CID 167329103
3-bromo-5-[3-(difluoromethyl)phenyl]-4-hydroxybenzonitrile
CID 167329011
4-(4-bromophenyl)-3-ethenylbenzonitrile
CID 121247724
(4-ethenylphenyl) 4-(4-cyanophenyl)benzoate
CID 134412865
3-bromo-5-tert-butyl-4-hydroxybenzonitrile
CID 21018
4-amino-3,5-bis(4-cyanophenyl)benzonitrile
CID 163197792

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile?
The IUPAC name of 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile (CID 167329082) is 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile.
What is the SMILES notation for 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile?
The canonical SMILES for 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile is C=Cc1ccc(-c2cc(C#N)cc(Br)c2O)cc1.
What is the InChIKey of 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile?
The InChIKey is ASPGZXGRDYDSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO/c1-2-10-3-5-12(6-4-10)13-7-11(9-17)8-14(16)15(13)18/h2-8,18H,1H2.
What are the key properties of 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile?
3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile has a molecular weight of 300.16 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-ethenylphenyl)-4-hydroxybenzonitrile is sourced from PubChem (CID 167329082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).