(5-bromo-2-methoxyphenyl)-diphenylmethanol

C20H17BrO2 — CID 3499772

IUPAC(5-bromo-2-methoxyphenyl)-diphenylmethanol
SMILESCOc1ccc(Br)cc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrO2/c1-23-19-13-12-17(21)14-18(19)20(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,22H,1H3
InChIKeyZAAFSUAFYVKKBX-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.74
Rot. Bonds4

About (5-bromo-2-methoxyphenyl)-diphenylmethanol

(5-bromo-2-methoxyphenyl)-diphenylmethanol (PubChem CID 3499772) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-diphenylmethanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-diphenylmethanol
PubChem CID3499772
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name(5-bromo-2-methoxyphenyl)-diphenylmethanol
SMILESCOc1ccc(Br)cc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17BrO2/c1-23-19-13-12-17(21)14-18(19)20(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,22H,1H3
InChIKeyZAAFSUAFYVKKBX-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5-bromo-2-methoxyphenyl)-diphenylmethanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-diphenylmethanol (CID 3499772) is (5-bromo-2-methoxyphenyl)-diphenylmethanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-diphenylmethanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-diphenylmethanol is COc1ccc(Br)cc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-diphenylmethanol?
The InChIKey is ZAAFSUAFYVKKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c1-23-19-13-12-17(21)14-18(19)20(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,22H,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-diphenylmethanol?
(5-bromo-2-methoxyphenyl)-diphenylmethanol has a molecular weight of 369.26 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-diphenylmethanol is sourced from PubChem (CID 3499772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).