2-(4-but-2-enoxyphenyl)-6-propylnaphthalene

C23H24O — CID 139862237

IUPAC2-(4-but-2-enoxyphenyl)-6-propylnaphthalene
SMILESCC=CCOc1ccc(-c2ccc3cc(CCC)ccc3c2)cc1
InChIInChI=1S/C23H24O/c1-3-5-15-24-23-13-11-19(12-14-23)21-10-9-20-16-18(6-4-2)7-8-22(20)17-21/h3,5,7-14,16-17H,4,6,15H2,1-2H3
InChIKeyCONLOAVKTZWXRF-UHFFFAOYSA-N
MW316.44 g/mol
LogP6.41
Rot. Bonds6

About 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene

2-(4-but-2-enoxyphenyl)-6-propylnaphthalene (PubChem CID 139862237) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene.

Molecular Properties

Compound Name2-(4-but-2-enoxyphenyl)-6-propylnaphthalene
PubChem CID139862237
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name2-(4-but-2-enoxyphenyl)-6-propylnaphthalene
SMILESCC=CCOc1ccc(-c2ccc3cc(CCC)ccc3c2)cc1
InChIInChI=1S/C23H24O/c1-3-5-15-24-23-13-11-19(12-14-23)21-10-9-20-16-18(6-4-2)7-8-22(20)17-21/h3,5,7-14,16-17H,4,6,15H2,1-2H3
InChIKeyCONLOAVKTZWXRF-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-but-2-enoxyphenyl)-1,2-difluoro-7-propylnaphthalene
CID 139861373
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-propylnaphthalene
CID 139863155
2-(4-but-2-enoxyphenyl)-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139856089
7-(4-but-2-enoxyphenyl)-1,2-difluoro-3-pentylnaphthalene
CID 139863077
1-but-2-enoxy-4-but-2-enylbenzene
CID 70608541
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
4-[4-[(E)-but-2-enoxy]phenyl]benzonitrile
CID 70154357
2-[[4-[(E)-but-2-enoxy]phenyl]-difluoromethoxy]-3-fluoro-6-pentylnaphthalene
CID 139862460
1-but-2-enoxy-4-[2-(4-pentylphenyl)ethynyl]benzene
CID 70371640
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
1-but-2-enoxy-4-[2-(4-heptylphenyl)ethynyl]benzene
CID 70371866
2-[2-(4-but-2-enoxyphenyl)-1,2-difluoroethenyl]-1-fluoro-6-pentylnaphthalene
CID 139864068

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene?
The IUPAC name of 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene (CID 139862237) is 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene.
What is the SMILES notation for 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene?
The canonical SMILES for 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene is CC=CCOc1ccc(-c2ccc3cc(CCC)ccc3c2)cc1.
What is the InChIKey of 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene?
The InChIKey is CONLOAVKTZWXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-3-5-15-24-23-13-11-19(12-14-23)21-10-9-20-16-18(6-4-2)7-8-22(20)17-21/h3,5,7-14,16-17H,4,6,15H2,1-2H3.
What are the key properties of 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene?
2-(4-but-2-enoxyphenyl)-6-propylnaphthalene has a molecular weight of 316.44 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-enoxyphenyl)-6-propylnaphthalene is sourced from PubChem (CID 139862237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).