4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile

C18H17NO2 — CID 26054579

IUPAC4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
SMILESC/C=C/c1ccc(OCc2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C18H17NO2/c1-3-4-14-9-10-17(18(11-14)20-2)21-13-16-7-5-15(12-19)6-8-16/h3-11H,13H2,1-2H3/b4-3+
InChIKeyILIXDZPPBVTVAG-ONEGZZNKSA-N
MW279.34 g/mol
LogP4.18
Rot. Bonds5

About 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile

4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile (PubChem CID 26054579) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
PubChem CID26054579
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
SMILESC/C=C/c1ccc(OCc2ccc(C#N)cc2)c(OC)c1
InChIInChI=1S/C18H17NO2/c1-3-4-14-9-10-17(18(11-14)20-2)21-13-16-7-5-15(12-19)6-8-16/h3-11H,13H2,1-2H3/b4-3+
InChIKeyILIXDZPPBVTVAG-ONEGZZNKSA-N
XLogP4.18
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[[4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 17463724
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]benzonitrile
CID 79415836
4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
CID 143291825
(E)-3-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enenitrile
CID 6092087
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
4-prop-1-enylbenzonitrile
CID 68719840

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile (CID 26054579) is 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile is C/C=C/c1ccc(OCc2ccc(C#N)cc2)c(OC)c1.
What is the InChIKey of 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile?
The InChIKey is ILIXDZPPBVTVAG-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-4-14-9-10-17(18(11-14)20-2)21-13-16-7-5-15(12-19)6-8-16/h3-11H,13H2,1-2H3/b4-3+.
What are the key properties of 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile?
4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile has a molecular weight of 279.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 26054579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).