(2-cyclohexylphenyl) dihydrogen phosphite

C12H17O3P — CID 22719070

IUPAC(2-cyclohexylphenyl) dihydrogen phosphite
SMILESOP(O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C12H17O3P/c13-16(14)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2
InChIKeyKGNBMBRYHMHVFZ-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.32
Rot. Bonds3

About (2-cyclohexylphenyl) dihydrogen phosphite

(2-cyclohexylphenyl) dihydrogen phosphite (PubChem CID 22719070) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is (2-cyclohexylphenyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-cyclohexylphenyl) dihydrogen phosphite
PubChem CID22719070
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name(2-cyclohexylphenyl) dihydrogen phosphite
SMILESOP(O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C12H17O3P/c13-16(14)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2
InChIKeyKGNBMBRYHMHVFZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylphenyl) dihydrogen phosphite?
The IUPAC name of (2-cyclohexylphenyl) dihydrogen phosphite (CID 22719070) is (2-cyclohexylphenyl) dihydrogen phosphite.
What is the SMILES notation for (2-cyclohexylphenyl) dihydrogen phosphite?
The canonical SMILES for (2-cyclohexylphenyl) dihydrogen phosphite is OP(O)Oc1ccccc1C1CCCCC1.
What is the InChIKey of (2-cyclohexylphenyl) dihydrogen phosphite?
The InChIKey is KGNBMBRYHMHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c13-16(14)15-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2.
What are the key properties of (2-cyclohexylphenyl) dihydrogen phosphite?
(2-cyclohexylphenyl) dihydrogen phosphite has a molecular weight of 240.24 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl) dihydrogen phosphite is sourced from PubChem (CID 22719070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).