4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine

C16H17NO2 — CID 176924118

IUPAC4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine
SMILESC/C=C/c1cc(OCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C16H17NO2/c1-3-4-14-11-16(9-10-17-14)19-12-13-5-7-15(18-2)8-6-13/h3-11H,12H2,1-2H3/b4-3+
InChIKeyFKBKXFZDCNDTPN-ONEGZZNKSA-N
MW255.32 g/mol
LogP3.70
Rot. Bonds5

About 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine

4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine (PubChem CID 176924118) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine
PubChem CID176924118
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine
SMILESC/C=C/c1cc(OCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C16H17NO2/c1-3-4-14-11-16(9-10-17-14)19-12-13-5-7-15(18-2)8-6-13/h3-11H,12H2,1-2H3/b4-3+
InChIKeyFKBKXFZDCNDTPN-ONEGZZNKSA-N
XLogP3.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine (CID 176924118) is 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine is C/C=C/c1cc(OCc2ccc(OC)cc2)ccn1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
The InChIKey is FKBKXFZDCNDTPN-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H17NO2/c1-3-4-14-11-16(9-10-17-14)19-12-13-5-7-15(18-2)8-6-13/h3-11H,12H2,1-2H3/b4-3+.
What are the key properties of 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine?
4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine has a molecular weight of 255.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]-2-[(E)-prop-1-enyl]pyridine is sourced from PubChem (CID 176924118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).