(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile

C19H17NO — CID 18522243

IUPAC(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile
SMILESC=CCc1c(/C=C/C#N)cccc1OCc1ccccc1
InChIInChI=1S/C19H17NO/c1-2-8-18-17(12-7-14-20)11-6-13-19(18)21-15-16-9-4-3-5-10-16/h2-7,9-13H,1,8,15H2/b12-7+
InChIKeyFRNGFXYYAWDYKY-KPKJPENVSA-N
MW275.35 g/mol
LogP4.53
Rot. Bonds6

About (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile

(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile (PubChem CID 18522243) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile
PubChem CID18522243
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile
SMILESC=CCc1c(/C=C/C#N)cccc1OCc1ccccc1
InChIInChI=1S/C19H17NO/c1-2-8-18-17(12-7-14-20)11-6-13-19(18)21-15-16-9-4-3-5-10-16/h2-7,9-13H,1,8,15H2/b12-7+
InChIKeyFRNGFXYYAWDYKY-KPKJPENVSA-N
XLogP4.53
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
(E)-3-[2-[(4-methylphenyl)methoxy]phenyl]prop-2-enenitrile
CID 6185484
(E)-3-[2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 6295779
3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4661928
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
1-methoxy-3-[(1E,3E,5E)-6-(3-methoxy-2-prop-2-enylphenyl)hexa-1,3,5-trienyl]-2-prop-2-enylbenzene
CID 102152712
N-(4-benzamido-3-cyano-5-phenylmethoxy-2-prop-2-enylphenyl)benzamide
CID 11812928
6-hydroxy-1-(3-phenylmethoxy-2-prop-2-enylphenyl)undec-10-en-2-yn-1-one
CID 123260381
5-phenylmethoxy-4-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 11098989
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
7-phenylmethoxy-8-prop-2-enyl-4H-chromene
CID 140967284
3-phenylmethoxy-4-prop-2-enylphenol
CID 174520142

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile (CID 18522243) is (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile is C=CCc1c(/C=C/C#N)cccc1OCc1ccccc1.
What is the InChIKey of (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile?
The InChIKey is FRNGFXYYAWDYKY-KPKJPENVSA-N. The full InChI is InChI=1S/C19H17NO/c1-2-8-18-17(12-7-14-20)11-6-13-19(18)21-15-16-9-4-3-5-10-16/h2-7,9-13H,1,8,15H2/b12-7+.
What are the key properties of (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile?
(E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile has a molecular weight of 275.35 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-phenylmethoxy-2-prop-2-enylphenyl)prop-2-enenitrile is sourced from PubChem (CID 18522243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).