2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene

C22H26O — CID 139853661

IUPAC2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCc2cc(-c3ccc(OCC)cc3)ccc2C1
InChIInChI=1S/C22H26O/c1-3-5-6-17-7-8-21-16-20(10-9-19(21)15-17)18-11-13-22(14-12-18)23-4-2/h3,9-14,16-17H,1,4-8,15H2,2H3
InChIKeyDTZXYRDVELMNDU-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.82
Rot. Bonds6

About 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene

2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853661) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853661
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCC1CCc2cc(-c3ccc(OCC)cc3)ccc2C1
InChIInChI=1S/C22H26O/c1-3-5-6-17-7-8-21-16-20(10-9-19(21)15-17)18-11-13-22(14-12-18)23-4-2/h3,9-14,16-17H,1,4-8,15H2,2H3
InChIKeyDTZXYRDVELMNDU-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.82
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

6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853030
6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852890
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139853300
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135
2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849291
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
4-(6-propyl-5,6,7,8-tetrahydronaphthalen-2-yl)benzonitrile
CID 20500208
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-(4-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852909
[4-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] hexanoate
CID 20500685

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853661) is 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene is C=CCCC1CCc2cc(-c3ccc(OCC)cc3)ccc2C1.
What is the InChIKey of 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DTZXYRDVELMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-3-5-6-17-7-8-21-16-20(10-9-19(21)15-17)18-11-13-22(14-12-18)23-4-2/h3,9-14,16-17H,1,4-8,15H2,2H3.
What are the key properties of 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 306.45 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).