4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol

C20H17BrO2 — CID 19938176

IUPAC4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccccc2CBr)cc1
InChIInChI=1S/C20H17BrO2/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20,22-23H,13H2
InChIKeyJEKRVEKWPOXXAN-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.17
Rot. Bonds4

About 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol

4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol (PubChem CID 19938176) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
PubChem CID19938176
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)c2ccccc2CBr)cc1
InChIInChI=1S/C20H17BrO2/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20,22-23H,13H2
InChIKeyJEKRVEKWPOXXAN-UHFFFAOYSA-N
XLogP5.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol
CID 57217646
2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
CID 67705842
(2R)-2-[2-(bromomethyl)phenyl]propanoyl bromide
CID 141122997
1-[2-(bromomethyl)phenyl]ethyl-trimethylsilane
CID 15140804
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
2-[2-[bis(4-hydroxyphenyl)methyl]benzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonic acid
CID 155323482
3-[1-[[2-[bis(4-hydroxyphenyl)methyl]phenyl]methyl]piperidin-4-yl]-1,3-oxazol-2-one
CID 67813423
4-[1-[[2-[bis(4-hydroxyphenyl)methyl]phenyl]methyl]piperidin-4-yl]-5H-1,3-oxazol-2-one
CID 67813431
2-[bis(4-hydroxyphenyl)methyl]-N-propylbenzamide
CID 19938132
3-[2-(bromomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171869229
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
2-[(4-bromophenyl)-(2-hydroxyphenyl)methyl]phenol
CID 141163589

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol (CID 19938176) is 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol is Oc1ccc(C(c2ccc(O)cc2)c2ccccc2CBr)cc1.
What is the InChIKey of 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is JEKRVEKWPOXXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20,22-23H,13H2.
What are the key properties of 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol?
4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 369.26 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(bromomethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 19938176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).