(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile

C15H11NO — CID 177424330

IUPAC(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1O)c1ccccc1
InChIInChI=1S/C15H11NO/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-10,17H/b14-10+
InChIKeyDFJOJLRVAGXUTC-GXDHUFHOSA-N
MW221.26 g/mol
LogP3.46
Rot. Bonds2

About (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile

(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile (PubChem CID 177424330) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
PubChem CID177424330
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccccc1O)c1ccccc1
InChIInChI=1S/C15H11NO/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-10,17H/b14-10+
InChIKeyDFJOJLRVAGXUTC-GXDHUFHOSA-N
XLogP3.46
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-iodophenyl)-2-phenylprop-2-enenitrile
CID 126370326
(E)-3-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409
(Z)-3-(3,4-dihydroxyphenyl)-2-phenylprop-2-enenitrile
CID 22080485
3-azulen-1-yl-2-phenylprop-2-enenitrile
CID 141486113
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
(Z)-2-phenyl-3-sulfanylprop-2-enenitrile
CID 134999873
(Z)-3-(3-methylthiophen-2-yl)-2-phenylprop-2-enenitrile
CID 1281275
(Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 126371449
(Z)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 126371304
(Z)-3-(4-anilinophenyl)-2-phenylprop-2-enenitrile
CID 57342537

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile (CID 177424330) is (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccccc1O)c1ccccc1.
What is the InChIKey of (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile?
The InChIKey is DFJOJLRVAGXUTC-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H11NO/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17/h1-10,17H/b14-10+.
What are the key properties of (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile?
(Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile has a molecular weight of 221.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxyphenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 177424330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).