[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate

C25H30O3 — CID 151441259

IUPAC[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C2CCCCC2)cc1-c1cccc(C2CCCCC2)c1
InChIInChI=1S/C25H30O3/c26-25(27)28-24-15-14-21(19-10-5-2-6-11-19)17-23(24)22-13-7-12-20(16-22)18-8-3-1-4-9-18/h7,12-19H,1-6,8-11H2,(H,26,27)
InChIKeyPEONUJGXFOPMJF-UHFFFAOYSA-N
MW378.51 g/mol
LogP7.51
Rot. Bonds4

About [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate

[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate (PubChem CID 151441259) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate
PubChem CID151441259
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C2CCCCC2)cc1-c1cccc(C2CCCCC2)c1
InChIInChI=1S/C25H30O3/c26-25(27)28-24-15-14-21(19-10-5-2-6-11-19)17-23(24)22-13-7-12-20(16-22)18-8-3-1-4-9-18/h7,12-19H,1-6,8-11H2,(H,26,27)
InChIKeyPEONUJGXFOPMJF-UHFFFAOYSA-N
XLogP7.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate?
The IUPAC name of [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate (CID 151441259) is [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate.
What is the SMILES notation for [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate?
The canonical SMILES for [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate is O=C(O)Oc1ccc(C2CCCCC2)cc1-c1cccc(C2CCCCC2)c1.
What is the InChIKey of [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate?
The InChIKey is PEONUJGXFOPMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c26-25(27)28-24-15-14-21(19-10-5-2-6-11-19)17-23(24)22-13-7-12-20(16-22)18-8-3-1-4-9-18/h7,12-19H,1-6,8-11H2,(H,26,27).
What are the key properties of [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate?
[4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate has a molecular weight of 378.51 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-2-(3-cyclohexylphenyl)phenyl] hydrogen carbonate is sourced from PubChem (CID 151441259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).