[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol

C15H15BrO3 — CID 112630832

IUPAC[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccc(Br)cc2CO)cc1
InChIInChI=1S/C15H15BrO3/c16-14-5-6-15(13(7-14)9-18)19-10-12-3-1-11(8-17)2-4-12/h1-7,17-18H,8-10H2
InChIKeyDXFXGCGAEVBVJZ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.01
Rot. Bonds5

About [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol

[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol (PubChem CID 112630832) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
PubChem CID112630832
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
SMILESOCc1ccc(COc2ccc(Br)cc2CO)cc1
InChIInChI=1S/C15H15BrO3/c16-14-5-6-15(13(7-14)9-18)19-10-12-3-1-11(8-17)2-4-12/h1-7,17-18H,8-10H2
InChIKeyDXFXGCGAEVBVJZ-UHFFFAOYSA-N
XLogP3.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 2440173
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 141145493
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 63533092
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
4-bromo-N-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methyl]aniline
CID 126212525
4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290

Frequently Asked Questions

What is the IUPAC name of [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol (CID 112630832) is [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol is OCc1ccc(COc2ccc(Br)cc2CO)cc1.
What is the InChIKey of [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol?
The InChIKey is DXFXGCGAEVBVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c16-14-5-6-15(13(7-14)9-18)19-10-12-3-1-11(8-17)2-4-12/h1-7,17-18H,8-10H2.
What are the key properties of [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol?
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol has a molecular weight of 323.19 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol is sourced from PubChem (CID 112630832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).