2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene

C25H32O — CID 139848040

IUPAC2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1)C2
InChIInChI=1S/C25H32O/c1-3-5-7-17-26-25-16-15-23-18-22(13-14-24(23)19-25)21-11-9-20(10-12-21)8-6-4-2/h3,5,9-12,15-16,19,22H,4,6-8,13-14,17-18H2,1-2H3
InChIKeyOQURKGZNGRQYAI-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.65
Rot. Bonds8

About 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene

2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848040) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139848040
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1)C2
InChIInChI=1S/C25H32O/c1-3-5-7-17-26-25-16-15-23-18-22(13-14-24(23)19-25)21-11-9-20(10-12-21)8-6-4-2/h3,5,9-12,15-16,19,22H,4,6-8,13-14,17-18H2,1-2H3
InChIKeyOQURKGZNGRQYAI-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849344
2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849045
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849818
2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848861
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene (CID 139848040) is 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene is CC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1)C2.
What is the InChIKey of 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OQURKGZNGRQYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O/c1-3-5-7-17-26-25-16-15-23-18-22(13-14-24(23)19-25)21-11-9-20(10-12-21)8-6-4-2/h3,5,9-12,15-16,19,22H,4,6-8,13-14,17-18H2,1-2H3.
What are the key properties of 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 348.53 g/mol, XLogP of 6.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).