2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene

C30H34 — CID 139853671

IUPAC2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCc1ccc(C2CCc3cc(-c4ccc(CCC)cc4)ccc3C2)cc1
InChIInChI=1S/C30H34/c1-3-5-6-8-24-11-15-26(16-12-24)28-18-20-29-21-27(17-19-30(29)22-28)25-13-9-23(7-4-2)10-14-25/h3,5,9-17,19,21,28H,4,6-8,18,20,22H2,1-2H3/b5-3+
InChIKeyZPCUGAGYVRFTLN-HWKANZROSA-N
MW394.60 g/mol
LogP8.09
Rot. Bonds7

About 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene

2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853671) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853671
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCc1ccc(C2CCc3cc(-c4ccc(CCC)cc4)ccc3C2)cc1
InChIInChI=1S/C30H34/c1-3-5-6-8-24-11-15-26(16-12-24)28-18-20-29-21-27(17-19-30(29)22-28)25-13-9-23(7-4-2)10-14-25/h3,5,9-17,19,21,28H,4,6-8,18,20,22H2,1-2H3/b5-3+
InChIKeyZPCUGAGYVRFTLN-HWKANZROSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-(4-ethylphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852181
6-(4-fluorophenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853199
6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853341
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848861
1-[4-[(E)-pent-3-enyl]cyclohex-3-en-1-yl]-4-(4-propylphenyl)benzene
CID 21464604
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
1-[(E)-pent-3-enyl]-4-[4-[4-(4-propylphenyl)phenyl]cyclohex-2-en-1-yl]benzene
CID 140619230
2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849344
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
1-pent-3-enyl-4-propylbenzene
CID 72599491
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849040

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853671) is 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is C/C=C/CCc1ccc(C2CCc3cc(-c4ccc(CCC)cc4)ccc3C2)cc1.
What is the InChIKey of 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZPCUGAGYVRFTLN-HWKANZROSA-N. The full InChI is InChI=1S/C30H34/c1-3-5-6-8-24-11-15-26(16-12-24)28-18-20-29-21-27(17-19-30(29)22-28)25-13-9-23(7-4-2)10-14-25/h3,5,9-17,19,21,28H,4,6-8,18,20,22H2,1-2H3/b5-3+.
What are the key properties of 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 394.60 g/mol, XLogP of 8.09, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).