1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene

C26H34O — CID 57241034

IUPAC1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
SMILESC=CC1CCC(CCc2ccc(-c3ccc(CCCOC)cc3)cc2)CC1
InChIInChI=1S/C26H34O/c1-3-21-6-8-23(9-7-21)10-11-24-14-18-26(19-15-24)25-16-12-22(13-17-25)5-4-20-27-2/h3,12-19,21,23H,1,4-11,20H2,2H3
InChIKeyPOVLXNDPDDCXAV-UHFFFAOYSA-N
MW362.56 g/mol
LogP6.86
Rot. Bonds9

About 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene

1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene (PubChem CID 57241034) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene.

Molecular Properties

Compound Name1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
PubChem CID57241034
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
SMILESC=CC1CCC(CCc2ccc(-c3ccc(CCCOC)cc3)cc2)CC1
InChIInChI=1S/C26H34O/c1-3-21-6-8-23(9-7-21)10-11-24-14-18-26(19-15-24)25-16-12-22(13-17-25)5-4-20-27-2/h3,12-19,21,23H,1,4-11,20H2,2H3
InChIKeyPOVLXNDPDDCXAV-UHFFFAOYSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 56.86
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

CID 23364825
CID 23364825
1-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]-4-[4-(2-methoxyethyl)phenyl]benzene
CID 54002608
1-[4-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607090
2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139861903
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
2-[4-[2-[4-(4-fluorophenyl)phenyl]ethyl]cyclohexyl]-5-(3-methoxypropyl)-1,3-dioxane
CID 18997842
7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
CID 139862731
1-[2-[4-(2-chloroethenyl)cyclohexyl]ethyl]-4-(4-propoxyphenyl)benzene
CID 54432080
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene
CID 176625829
1-[2-[4-[(E)-2-chloroethenyl]cyclohexyl]ethyl]-4-(4-ethoxyphenyl)benzene
CID 18656366
1-(2-fluoroethyl)-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 54416262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene?
The IUPAC name of 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene (CID 57241034) is 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene.
What is the SMILES notation for 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene?
The canonical SMILES for 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene is C=CC1CCC(CCc2ccc(-c3ccc(CCCOC)cc3)cc2)CC1.
What is the InChIKey of 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene?
The InChIKey is POVLXNDPDDCXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O/c1-3-21-6-8-23(9-7-21)10-11-24-14-18-26(19-15-24)25-16-12-22(13-17-25)5-4-20-27-2/h3,12-19,21,23H,1,4-11,20H2,2H3.
What are the key properties of 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene?
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene has a molecular weight of 362.56 g/mol, XLogP of 6.86, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene is sourced from PubChem (CID 57241034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).