phenylmethanol;phosphane;trihydrobromide

C7H14Br3OP — CID 174749424

IUPACphenylmethanol;phosphane;trihydrobromide
SMILESBr.Br.Br.OCc1ccccc1.P
InChIInChI=1S/C7H8O.3BrH.H3P/c8-6-7-4-2-1-3-5-7;;;;/h1-5,8H,6H2;3*1H;1H3
InChIKeyUPWKICQLAGPZIZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.97
Rot. Bonds1

About phenylmethanol;phosphane;trihydrobromide

phenylmethanol;phosphane;trihydrobromide (PubChem CID 174749424) has the molecular formula C7H14Br3OP and a molecular weight of 384.87 g/mol. Its IUPAC name is phenylmethanol;phosphane;trihydrobromide.

Molecular Properties

Compound Namephenylmethanol;phosphane;trihydrobromide
PubChem CID174749424
Molecular FormulaC7H14Br3OP
Molecular Weight384.87 g/mol
Exact Mass381.83
IUPAC Namephenylmethanol;phosphane;trihydrobromide
SMILESBr.Br.Br.OCc1ccccc1.P
InChIInChI=1S/C7H8O.3BrH.H3P/c8-6-7-4-2-1-3-5-7;;;;/h1-5,8H,6H2;3*1H;1H3
InChIKeyUPWKICQLAGPZIZ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylmethanol;phosphane;trihydrobromide?
The IUPAC name of phenylmethanol;phosphane;trihydrobromide (CID 174749424) is phenylmethanol;phosphane;trihydrobromide.
What is the SMILES notation for phenylmethanol;phosphane;trihydrobromide?
The canonical SMILES for phenylmethanol;phosphane;trihydrobromide is Br.Br.Br.OCc1ccccc1.P.
What is the InChIKey of phenylmethanol;phosphane;trihydrobromide?
The InChIKey is UPWKICQLAGPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.3BrH.H3P/c8-6-7-4-2-1-3-5-7;;;;/h1-5,8H,6H2;3*1H;1H3.
What are the key properties of phenylmethanol;phosphane;trihydrobromide?
phenylmethanol;phosphane;trihydrobromide has a molecular weight of 384.87 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol;phosphane;trihydrobromide is sourced from PubChem (CID 174749424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).