2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene

C24H30 — CID 139849344

IUPAC2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/c1ccc2c(c1)CCC(c1ccc(CCCCC)cc1)C2
InChIInChI=1S/C24H30/c1-3-5-6-8-19-9-12-21(13-10-19)23-16-15-22-17-20(7-4-2)11-14-24(22)18-23/h4,7,9-14,17,23H,3,5-6,8,15-16,18H2,1-2H3/b7-4+
InChIKeyXRTDWKSFLZNMKH-QPJJXVBHSA-N
MW318.50 g/mol
LogP6.72
Rot. Bonds6

About 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene

2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849344) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849344
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/c1ccc2c(c1)CCC(c1ccc(CCCCC)cc1)C2
InChIInChI=1S/C24H30/c1-3-5-6-8-19-9-12-21(13-10-19)23-16-15-22-17-20(7-4-2)11-14-24(22)18-23/h4,7,9-14,17,23H,3,5-6,8,15-16,18H2,1-2H3/b7-4+
InChIKeyXRTDWKSFLZNMKH-QPJJXVBHSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-difluoro-4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849076
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139848699
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
6-(4-ethylphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852181
7,8-difluoro-2-(4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848195
2-(4-butylphenyl)-6-[2-(3,4,5-trifluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852995
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
6-(4-fluorophenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853199
2-heptyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849239

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene (CID 139849344) is 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/c1ccc2c(c1)CCC(c1ccc(CCCCC)cc1)C2.
What is the InChIKey of 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XRTDWKSFLZNMKH-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H30/c1-3-5-6-8-19-9-12-21(13-10-19)23-16-15-22-17-20(7-4-2)11-14-24(22)18-23/h4,7,9-14,17,23H,3,5-6,8,15-16,18H2,1-2H3/b7-4+.
What are the key properties of 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene?
2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 318.50 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).