2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene

C25H32O — CID 139849291

IUPAC2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCCOc1ccc2c(c1)CCC(CCc1ccc(CC)cc1)C2
InChIInChI=1S/C25H32O/c1-3-5-6-17-26-25-16-15-23-18-22(13-14-24(23)19-25)12-11-21-9-7-20(4-2)8-10-21/h3,7-10,15-16,19,22H,1,4-6,11-14,17-18H2,2H3
InChIKeyYKWCRPMIEPNXPW-UHFFFAOYSA-N
MW348.53 g/mol
LogP6.33
Rot. Bonds9

About 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene

2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849291) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139849291
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCCOc1ccc2c(c1)CCC(CCc1ccc(CC)cc1)C2
InChIInChI=1S/C25H32O/c1-3-5-6-17-26-25-16-15-23-18-22(13-14-24(23)19-25)12-11-21-9-7-20(4-2)8-10-21/h3,7-10,15-16,19,22H,1,4-6,11-14,17-18H2,2H3
InChIKeyYKWCRPMIEPNXPW-UHFFFAOYSA-N
XLogP6.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.33
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

2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417
2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853661
2-[2-(4-ethylphenyl)ethyl]-6,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139848750
2-but-3-enyl-6-(4-but-3-enylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853030
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
2-[(6R,8aR)-6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-hexoxy-1,2,3,4-tetrahydronaphthalene
CID 20808572
2-[2-(4-ethyl-2-fluorophenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848502
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene (CID 139849291) is 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene is C=CCCCOc1ccc2c(c1)CCC(CCc1ccc(CC)cc1)C2.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YKWCRPMIEPNXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O/c1-3-5-6-17-26-25-16-15-23-18-22(13-14-24(23)19-25)12-11-21-9-7-20(4-2)8-10-21/h3,7-10,15-16,19,22H,1,4-6,11-14,17-18H2,2H3.
What are the key properties of 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 348.53 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).