2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene

C31H36O — CID 139863023

IUPAC2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
SMILESC=CCCC1CCC(c2ccc(CCc3ccc4cc(OCC=C)ccc4c3)cc2)CC1
InChIInChI=1S/C31H36O/c1-3-5-6-24-9-14-27(15-10-24)28-16-11-25(12-17-28)7-8-26-13-18-30-23-31(32-21-4-2)20-19-29(30)22-26/h3-4,11-13,16-20,22-24,27H,1-2,5-10,14-15,21H2
InChIKeyPOQMTGHFMXVTOL-UHFFFAOYSA-N
MW424.63 g/mol
LogP8.43
Rot. Bonds10

About 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene

2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene (PubChem CID 139863023) has the molecular formula C31H36O and a molecular weight of 424.63 g/mol. Its IUPAC name is 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
PubChem CID139863023
Molecular FormulaC31H36O
Molecular Weight424.63 g/mol
Exact Mass424.28
IUPAC Name2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
SMILESC=CCCC1CCC(c2ccc(CCc3ccc4cc(OCC=C)ccc4c3)cc2)CC1
InChIInChI=1S/C31H36O/c1-3-5-6-24-9-14-27(15-10-24)28-16-11-25(12-17-28)7-8-26-13-18-30-23-31(32-21-4-2)20-19-29(30)22-26/h3-4,11-13,16-20,22-24,27H,1-2,5-10,14-15,21H2
InChIKeyPOQMTGHFMXVTOL-UHFFFAOYSA-N
XLogP8.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139863124
3-but-3-enyl-7-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139861848
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoro-7-methoxynaphthalene
CID 139861474
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139862355
2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139861791
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139863740
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139862065

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene?
The IUPAC name of 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene (CID 139863023) is 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene?
The canonical SMILES for 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene is C=CCCC1CCC(c2ccc(CCc3ccc4cc(OCC=C)ccc4c3)cc2)CC1.
What is the InChIKey of 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene?
The InChIKey is POQMTGHFMXVTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36O/c1-3-5-6-24-9-14-27(15-10-24)28-16-11-25(12-17-28)7-8-26-13-18-30-23-31(32-21-4-2)20-19-29(30)22-26/h3-4,11-13,16-20,22-24,27H,1-2,5-10,14-15,21H2.
What are the key properties of 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene?
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene has a molecular weight of 424.63 g/mol, XLogP of 8.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139863023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).