3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine

C18H21NO — CID 139780821

IUPAC3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine
SMILESCCCCOc1ccc(C=C(C)c2cccnc2)cc1
InChIInChI=1S/C18H21NO/c1-3-4-12-20-18-9-7-16(8-10-18)13-15(2)17-6-5-11-19-14-17/h5-11,13-14H,3-4,12H2,1-2H3
InChIKeyICHJOPBOEXXHKV-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.82
Rot. Bonds6

About 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine

3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine (PubChem CID 139780821) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine
PubChem CID139780821
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine
SMILESCCCCOc1ccc(C=C(C)c2cccnc2)cc1
InChIInChI=1S/C18H21NO/c1-3-4-12-20-18-9-7-16(8-10-18)13-15(2)17-6-5-11-19-14-17/h5-11,13-14H,3-4,12H2,1-2H3
InChIKeyICHJOPBOEXXHKV-UHFFFAOYSA-N
XLogP4.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid
CID 139662210
1-(2-methylprop-1-enyl)-4-tetradecoxybenzene
CID 150699958
1,4-bis[2,2-bis(4-butoxyphenyl)ethenyl]benzene
CID 102046823
[4-[(4-heptoxyphenyl)methylideneamino]phenyl] pyridine-3-carboxylate
CID 101101759
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
ethane;1-(4-hexoxyphenyl)ethanone;methane;4-pyridin-3-yloxybenzaldehyde
CID 143062011
3-octadecoxypyridine
CID 175800212
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
[4-(pyridin-3-yliminomethyl)phenyl] 4-butoxybenzoate
CID 101101767
3-(4-octoxyphenyl)pyridine
CID 90176946
[4-[(4-decoxyphenyl)diazenyl]phenyl] pyridine-3-carboxylate
CID 101147347
3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine?
The IUPAC name of 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine (CID 139780821) is 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine is CCCCOc1ccc(C=C(C)c2cccnc2)cc1.
What is the InChIKey of 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine?
The InChIKey is ICHJOPBOEXXHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-4-12-20-18-9-7-16(8-10-18)13-15(2)17-6-5-11-19-14-17/h5-11,13-14H,3-4,12H2,1-2H3.
What are the key properties of 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine?
3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine has a molecular weight of 267.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-butoxyphenyl)prop-1-en-2-yl]pyridine is sourced from PubChem (CID 139780821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).