(4-chlorophenyl)-diphenoxyphosphanylmethanol

C19H16ClO3P — CID 141472457

IUPAC(4-chlorophenyl)-diphenoxyphosphanylmethanol
SMILESOC(c1ccc(Cl)cc1)P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H16ClO3P/c20-16-13-11-15(12-14-16)19(21)24(22-17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-14,19,21H
InChIKeyPECJDWAWGPGUSC-UHFFFAOYSA-N
MW358.76 g/mol
LogP5.80
Rot. Bonds6

About (4-chlorophenyl)-diphenoxyphosphanylmethanol

(4-chlorophenyl)-diphenoxyphosphanylmethanol (PubChem CID 141472457) has the molecular formula C19H16ClO3P and a molecular weight of 358.76 g/mol. Its IUPAC name is (4-chlorophenyl)-diphenoxyphosphanylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-diphenoxyphosphanylmethanol
PubChem CID141472457
Molecular FormulaC19H16ClO3P
Molecular Weight358.76 g/mol
Exact Mass358.05
IUPAC Name(4-chlorophenyl)-diphenoxyphosphanylmethanol
SMILESOC(c1ccc(Cl)cc1)P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H16ClO3P/c20-16-13-11-15(12-14-16)19(21)24(22-17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-14,19,21H
InChIKeyPECJDWAWGPGUSC-UHFFFAOYSA-N
XLogP5.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.76
LogP ≤ 55.80
H-Bond Donors ≤ 51
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 (4-chlorophenyl)-diphenoxyphosphanylmethanol?
The IUPAC name of (4-chlorophenyl)-diphenoxyphosphanylmethanol (CID 141472457) is (4-chlorophenyl)-diphenoxyphosphanylmethanol.
What is the SMILES notation for (4-chlorophenyl)-diphenoxyphosphanylmethanol?
The canonical SMILES for (4-chlorophenyl)-diphenoxyphosphanylmethanol is OC(c1ccc(Cl)cc1)P(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (4-chlorophenyl)-diphenoxyphosphanylmethanol?
The InChIKey is PECJDWAWGPGUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClO3P/c20-16-13-11-15(12-14-16)19(21)24(22-17-7-3-1-4-8-17)23-18-9-5-2-6-10-18/h1-14,19,21H.
What are the key properties of (4-chlorophenyl)-diphenoxyphosphanylmethanol?
(4-chlorophenyl)-diphenoxyphosphanylmethanol has a molecular weight of 358.76 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-diphenoxyphosphanylmethanol is sourced from PubChem (CID 141472457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).