(4-bromophenyl)-diphenylphosphorylmethanol

C19H16BrO2P — CID 3106161

IUPAC(4-bromophenyl)-diphenylphosphorylmethanol
SMILESO=P(c1ccccc1)(c1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrO2P/c20-16-13-11-15(12-14-16)19(21)23(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,19,21H
InChIKeyDDWOQSFSKYOBEF-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.45
Rot. Bonds4

About (4-bromophenyl)-diphenylphosphorylmethanol

(4-bromophenyl)-diphenylphosphorylmethanol (PubChem CID 3106161) has the molecular formula C19H16BrO2P and a molecular weight of 387.21 g/mol. Its IUPAC name is (4-bromophenyl)-diphenylphosphorylmethanol.

Molecular Properties

Compound Name(4-bromophenyl)-diphenylphosphorylmethanol
PubChem CID3106161
Molecular FormulaC19H16BrO2P
Molecular Weight387.21 g/mol
Exact Mass386.01
IUPAC Name(4-bromophenyl)-diphenylphosphorylmethanol
SMILESO=P(c1ccccc1)(c1ccccc1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrO2P/c20-16-13-11-15(12-14-16)19(21)23(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,19,21H
InChIKeyDDWOQSFSKYOBEF-UHFFFAOYSA-N
XLogP4.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.45
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 (4-bromophenyl)-diphenylphosphorylmethanol?
The IUPAC name of (4-bromophenyl)-diphenylphosphorylmethanol (CID 3106161) is (4-bromophenyl)-diphenylphosphorylmethanol.
What is the SMILES notation for (4-bromophenyl)-diphenylphosphorylmethanol?
The canonical SMILES for (4-bromophenyl)-diphenylphosphorylmethanol is O=P(c1ccccc1)(c1ccccc1)C(O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-diphenylphosphorylmethanol?
The InChIKey is DDWOQSFSKYOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrO2P/c20-16-13-11-15(12-14-16)19(21)23(22,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,19,21H.
What are the key properties of (4-bromophenyl)-diphenylphosphorylmethanol?
(4-bromophenyl)-diphenylphosphorylmethanol has a molecular weight of 387.21 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-diphenylphosphorylmethanol is sourced from PubChem (CID 3106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).