2-(dicyclohexylphosphorylmethyl)phenol

C19H29O2P — CID 164901340

IUPAC2-(dicyclohexylphosphorylmethyl)phenol
SMILESO=P(Cc1ccccc1O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H29O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18,20H,1-6,10-13,15H2
InChIKeyZVWQYHAEPYDNAX-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.92
Rot. Bonds4

About 2-(dicyclohexylphosphorylmethyl)phenol

2-(dicyclohexylphosphorylmethyl)phenol (PubChem CID 164901340) has the molecular formula C19H29O2P and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(dicyclohexylphosphorylmethyl)phenol.

Molecular Properties

Compound Name2-(dicyclohexylphosphorylmethyl)phenol
PubChem CID164901340
Molecular FormulaC19H29O2P
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(dicyclohexylphosphorylmethyl)phenol
SMILESO=P(Cc1ccccc1O)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H29O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18,20H,1-6,10-13,15H2
InChIKeyZVWQYHAEPYDNAX-UHFFFAOYSA-N
XLogP5.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(dicyclohexylphosphorylmethyl)phenol?
The IUPAC name of 2-(dicyclohexylphosphorylmethyl)phenol (CID 164901340) is 2-(dicyclohexylphosphorylmethyl)phenol.
What is the SMILES notation for 2-(dicyclohexylphosphorylmethyl)phenol?
The canonical SMILES for 2-(dicyclohexylphosphorylmethyl)phenol is O=P(Cc1ccccc1O)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-(dicyclohexylphosphorylmethyl)phenol?
The InChIKey is ZVWQYHAEPYDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h7-9,14,17-18,20H,1-6,10-13,15H2.
What are the key properties of 2-(dicyclohexylphosphorylmethyl)phenol?
2-(dicyclohexylphosphorylmethyl)phenol has a molecular weight of 320.41 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclohexylphosphorylmethyl)phenol is sourced from PubChem (CID 164901340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).