phenylmethanol;tetrabromomethane

C8H8Br4O — CID 174808232

IUPACphenylmethanol;tetrabromomethane
SMILESBrC(Br)(Br)Br.OCc1ccccc1
InChIInChI=1S/C7H8O.CBr4/c8-6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5,8H,6H2;
InChIKeyIYMIMXVWCPLCDC-UHFFFAOYSA-N
MW439.77 g/mol
LogP4.36
Rot. Bonds1

About phenylmethanol;tetrabromomethane

phenylmethanol;tetrabromomethane (PubChem CID 174808232) has the molecular formula C8H8Br4O and a molecular weight of 439.77 g/mol. Its IUPAC name is phenylmethanol;tetrabromomethane.

Molecular Properties

Compound Namephenylmethanol;tetrabromomethane
PubChem CID174808232
Molecular FormulaC8H8Br4O
Molecular Weight439.77 g/mol
Exact Mass435.73
IUPAC Namephenylmethanol;tetrabromomethane
SMILESBrC(Br)(Br)Br.OCc1ccccc1
InChIInChI=1S/C7H8O.CBr4/c8-6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5,8H,6H2;
InChIKeyIYMIMXVWCPLCDC-UHFFFAOYSA-N
XLogP4.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenylmethanol;tetrabromomethane?
The IUPAC name of phenylmethanol;tetrabromomethane (CID 174808232) is phenylmethanol;tetrabromomethane.
What is the SMILES notation for phenylmethanol;tetrabromomethane?
The canonical SMILES for phenylmethanol;tetrabromomethane is BrC(Br)(Br)Br.OCc1ccccc1.
What is the InChIKey of phenylmethanol;tetrabromomethane?
The InChIKey is IYMIMXVWCPLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CBr4/c8-6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5,8H,6H2;.
What are the key properties of phenylmethanol;tetrabromomethane?
phenylmethanol;tetrabromomethane has a molecular weight of 439.77 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanol;tetrabromomethane is sourced from PubChem (CID 174808232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).