[2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate

C22H26O2 — CID 57300620

IUPAC[2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate
SMILESO=COC1CCCCC1CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26O2/c23-17-24-22-12-5-4-10-21(22)11-6-7-18-13-15-20(16-14-18)19-8-2-1-3-9-19/h1-3,8-9,13-17,21-22H,4-7,10-12H2
InChIKeyKZNKNJHYEKKPFN-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.41
Rot. Bonds7

About [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate

[2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate (PubChem CID 57300620) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate.

Molecular Properties

Compound Name[2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate
PubChem CID57300620
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name[2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate
SMILESO=COC1CCCCC1CCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H26O2/c23-17-24-22-12-5-4-10-21(22)11-6-7-18-13-15-20(16-14-18)19-8-2-1-3-9-19/h1-3,8-9,13-17,21-22H,4-7,10-12H2
InChIKeyKZNKNJHYEKKPFN-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate?
The IUPAC name of [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate (CID 57300620) is [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate.
What is the SMILES notation for [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate?
The canonical SMILES for [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate is O=COC1CCCCC1CCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate?
The InChIKey is KZNKNJHYEKKPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c23-17-24-22-12-5-4-10-21(22)11-6-7-18-13-15-20(16-14-18)19-8-2-1-3-9-19/h1-3,8-9,13-17,21-22H,4-7,10-12H2.
What are the key properties of [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate?
[2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate has a molecular weight of 322.45 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-phenylphenyl)propyl]cyclohexyl] formate is sourced from PubChem (CID 57300620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).