(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile

C26H19NO — CID 126370031

IUPAC(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H19NO/c27-18-24(20-9-2-1-3-10-20)17-22-12-5-7-16-26(22)28-19-23-14-8-13-21-11-4-6-15-25(21)23/h1-17H,19H2/b24-17-
InChIKeyQMRXFVJANPMLCH-ULJHMMPZSA-N
MW361.44 g/mol
LogP6.48
Rot. Bonds5

About (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile

(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile (PubChem CID 126370031) has the molecular formula C26H19NO and a molecular weight of 361.44 g/mol. Its IUPAC name is (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
PubChem CID126370031
Molecular FormulaC26H19NO
Molecular Weight361.44 g/mol
Exact Mass361.15
IUPAC Name(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C26H19NO/c27-18-24(20-9-2-1-3-10-20)17-22-12-5-7-16-26(22)28-19-23-14-8-13-21-11-4-6-15-25(21)23/h1-17H,19H2/b24-17-
InChIKeyQMRXFVJANPMLCH-ULJHMMPZSA-N
XLogP6.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.48
H-Bond Donors ≤ 50
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-naphthalen-1-yl-2-phenylprop-2-enenitrile
CID 7372758
(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126366484
2-[[2-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile
CID 2953041
2-(2-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 3882737
4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 934756
(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 124652517
2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464
(Z)-2-cyano-3-[2-(naphthalen-1-ylmethoxy)phenyl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126248155
(E)-2-cyano-N-cyclohexyl-3-[2-(naphthalen-1-ylmethoxy)phenyl]prop-2-enamide
CID 6014897
2-[[2-[2-cyano-2-(3-nitrophenyl)ethenyl]phenoxy]methyl]benzonitrile
CID 5234268
4-[1-cyano-2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]benzoic acid
CID 3555032
(E)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]-2-phenylprop-2-enenitrile
CID 126364856

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile (CID 126370031) is (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile is N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile?
The InChIKey is QMRXFVJANPMLCH-ULJHMMPZSA-N. The full InChI is InChI=1S/C26H19NO/c27-18-24(20-9-2-1-3-10-20)17-22-12-5-7-16-26(22)28-19-23-14-8-13-21-11-4-6-15-25(21)23/h1-17H,19H2/b24-17-.
What are the key properties of (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile?
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile has a molecular weight of 361.44 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 126370031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).