6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene

C33H38 — CID 139853341

IUPAC6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CC1CCC(c2ccc(-c3ccc4c(c3)CCC(c3ccc(CCC)cc3)C4)cc2)CC1
InChIInChI=1S/C33H38/c1-3-5-25-8-12-28(13-9-25)30-18-20-33-23-31(19-21-32(33)22-30)29-16-14-27(15-17-29)26-10-6-24(4-2)7-11-26/h4,8-9,12-17,19,21,23-24,26,30H,2-3,5-7,10-11,18,20,22H2,1H3
InChIKeyIIZUMKIWVYJZFE-UHFFFAOYSA-N
MW434.67 g/mol
LogP9.04
Rot. Bonds6

About 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene

6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853341) has the molecular formula C33H38 and a molecular weight of 434.67 g/mol. Its IUPAC name is 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139853341
Molecular FormulaC33H38
Molecular Weight434.67 g/mol
Exact Mass434.30
IUPAC Name6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CC1CCC(c2ccc(-c3ccc4c(c3)CCC(c3ccc(CCC)cc3)C4)cc2)CC1
InChIInChI=1S/C33H38/c1-3-5-25-8-12-28(13-9-25)30-18-20-33-23-31(19-21-32(33)22-30)29-16-14-27(15-17-29)26-10-6-24(4-2)7-11-26/h4,8-9,12-17,19,21,23-24,26,30H,2-3,5-7,10-11,18,20,22H2,1H3
InChIKeyIIZUMKIWVYJZFE-UHFFFAOYSA-N
XLogP9.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 59.04
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
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139853300
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139853341) is 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is C=CC1CCC(c2ccc(-c3ccc4c(c3)CCC(c3ccc(CCC)cc3)C4)cc2)CC1.
What is the InChIKey of 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is IIZUMKIWVYJZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38/c1-3-5-25-8-12-28(13-9-25)30-18-20-33-23-31(19-21-32(33)22-30)29-16-14-27(15-17-29)26-10-6-24(4-2)7-11-26/h4,8-9,12-17,19,21,23-24,26,30H,2-3,5-7,10-11,18,20,22H2,1H3.
What are the key properties of 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 434.67 g/mol, XLogP of 9.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).