1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol

C20H23NO3 — CID 154721757

IUPAC1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(CC(O)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C20H23NO3/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)15-16-11-13-19(14-12-16)21(23)24/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15H2
InChIKeyZZPGCOHDOSGILP-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.61
Rot. Bonds5

About 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol

1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol (PubChem CID 154721757) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol
PubChem CID154721757
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(CC(O)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C20H23NO3/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)15-16-11-13-19(14-12-16)21(23)24/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15H2
InChIKeyZZPGCOHDOSGILP-UHFFFAOYSA-N
XLogP4.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol?
The IUPAC name of 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol (CID 154721757) is 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol.
What is the SMILES notation for 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol?
The canonical SMILES for 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol is O=[N+]([O-])c1ccc(CC(O)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol?
The InChIKey is ZZPGCOHDOSGILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)15-16-11-13-19(14-12-16)21(23)24/h1,3-4,7-8,11-14,18,22H,2,5-6,9-10,15H2.
What are the key properties of 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol?
1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol has a molecular weight of 325.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4-nitrophenyl)-1-phenylethanol is sourced from PubChem (CID 154721757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).