1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene

C21H24O — CID 58993631

IUPAC1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene
SMILESC=C(OCC1(c2ccccc2)CCCCC1)c1ccccc1
InChIInChI=1S/C21H24O/c1-18(19-11-5-2-6-12-19)22-17-21(15-9-4-10-16-21)20-13-7-3-8-14-20/h2-3,5-8,11-14H,1,4,9-10,15-17H2
InChIKeyQJDQDTKESYLLMM-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.58
Rot. Bonds5

About 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene

1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene (PubChem CID 58993631) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene.

Molecular Properties

Compound Name1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene
PubChem CID58993631
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene
SMILESC=C(OCC1(c2ccccc2)CCCCC1)c1ccccc1
InChIInChI=1S/C21H24O/c1-18(19-11-5-2-6-12-19)22-17-21(15-9-4-10-16-21)20-13-7-3-8-14-20/h2-3,5-8,11-14H,1,4,9-10,15-17H2
InChIKeyQJDQDTKESYLLMM-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene?
The IUPAC name of 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene (CID 58993631) is 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene.
What is the SMILES notation for 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene?
The canonical SMILES for 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene is C=C(OCC1(c2ccccc2)CCCCC1)c1ccccc1.
What is the InChIKey of 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene?
The InChIKey is QJDQDTKESYLLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-18(19-11-5-2-6-12-19)22-17-21(15-9-4-10-16-21)20-13-7-3-8-14-20/h2-3,5-8,11-14H,1,4,9-10,15-17H2.
What are the key properties of 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene?
1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene has a molecular weight of 292.42 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylcyclohexyl)methoxy]ethenylbenzene is sourced from PubChem (CID 58993631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).