[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene

C19H23O2P — CID 98130022

IUPAC[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene
SMILESC[C@H]1CCCC[C@@H]1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O2P/c1-16-10-8-9-15-19(16)21-22(20,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3/t16-,19-/m0/s1
InChIKeyNZVFXIIZKAIPKD-LPHOPBHVSA-N
MW314.37 g/mol
LogP4.51
Rot. Bonds4

About [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene

[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene (PubChem CID 98130022) has the molecular formula C19H23O2P and a molecular weight of 314.37 g/mol. Its IUPAC name is [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene
PubChem CID98130022
Molecular FormulaC19H23O2P
Molecular Weight314.37 g/mol
Exact Mass314.14
IUPAC Name[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene
SMILESC[C@H]1CCCC[C@@H]1OP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23O2P/c1-16-10-8-9-15-19(16)21-22(20,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3/t16-,19-/m0/s1
InChIKeyNZVFXIIZKAIPKD-LPHOPBHVSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene?
The IUPAC name of [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene (CID 98130022) is [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene.
What is the SMILES notation for [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene?
The canonical SMILES for [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene is C[C@H]1CCCC[C@@H]1OP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene?
The InChIKey is NZVFXIIZKAIPKD-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H23O2P/c1-16-10-8-9-15-19(16)21-22(20,17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3/t16-,19-/m0/s1.
What are the key properties of [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene?
[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene has a molecular weight of 314.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene is sourced from PubChem (CID 98130022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).