bis(4-bromophenyl)-phenylmethanol

C19H14Br2O — CID 4152948

IUPACbis(4-bromophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14Br2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H
InChIKeyBJYKHAGIXIUWBX-UHFFFAOYSA-N
MW418.13 g/mol
LogP5.50
Rot. Bonds3

About bis(4-bromophenyl)-phenylmethanol

bis(4-bromophenyl)-phenylmethanol (PubChem CID 4152948) has the molecular formula C19H14Br2O and a molecular weight of 418.13 g/mol. Its IUPAC name is bis(4-bromophenyl)-phenylmethanol.

Molecular Properties

Compound Namebis(4-bromophenyl)-phenylmethanol
PubChem CID4152948
Molecular FormulaC19H14Br2O
Molecular Weight418.13 g/mol
Exact Mass415.94
IUPAC Namebis(4-bromophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14Br2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H
InChIKeyBJYKHAGIXIUWBX-UHFFFAOYSA-N
XLogP5.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.13
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-bromophenyl)-phenylmethanol?
The IUPAC name of bis(4-bromophenyl)-phenylmethanol (CID 4152948) is bis(4-bromophenyl)-phenylmethanol.
What is the SMILES notation for bis(4-bromophenyl)-phenylmethanol?
The canonical SMILES for bis(4-bromophenyl)-phenylmethanol is OC(c1ccccc1)(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of bis(4-bromophenyl)-phenylmethanol?
The InChIKey is BJYKHAGIXIUWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H.
What are the key properties of bis(4-bromophenyl)-phenylmethanol?
bis(4-bromophenyl)-phenylmethanol has a molecular weight of 418.13 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-phenylmethanol is sourced from PubChem (CID 4152948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).