[5-bromo-2-(methoxymethoxy)phenyl]methanol

C9H11BrO3 — CID 54142346

IUPAC[5-bromo-2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1ccc(Br)cc1CO
InChIInChI=1S/C9H11BrO3/c1-12-6-13-9-3-2-8(10)4-7(9)5-11/h2-4,11H,5-6H2,1H3
InChIKeyOBYXRMBHEBBNNW-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.92
Rot. Bonds4

About [5-bromo-2-(methoxymethoxy)phenyl]methanol

[5-bromo-2-(methoxymethoxy)phenyl]methanol (PubChem CID 54142346) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is [5-bromo-2-(methoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(methoxymethoxy)phenyl]methanol
PubChem CID54142346
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Name[5-bromo-2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1ccc(Br)cc1CO
InChIInChI=1S/C9H11BrO3/c1-12-6-13-9-3-2-8(10)4-7(9)5-11/h2-4,11H,5-6H2,1H3
InChIKeyOBYXRMBHEBBNNW-UHFFFAOYSA-N
XLogP1.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [5-bromo-2-(methoxymethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-1-(methoxymethoxy)-2-propylbenzene
CID 68947055
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
methyl 3-[4-bromo-2-(hydroxymethyl)phenoxy]-2,2-dimethylpropanoate
CID 79624738
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 28981464
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 63533092
[4-bromo-2-(hydroxymethyl)phenyl] acetate
CID 130978609
3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
CID 43152589
4-bromo-2-(methoxymethoxy)aniline
CID 167459517

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(methoxymethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(methoxymethoxy)phenyl]methanol (CID 54142346) is [5-bromo-2-(methoxymethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(methoxymethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(methoxymethoxy)phenyl]methanol is COCOc1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-(methoxymethoxy)phenyl]methanol?
The InChIKey is OBYXRMBHEBBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-12-6-13-9-3-2-8(10)4-7(9)5-11/h2-4,11H,5-6H2,1H3.
What are the key properties of [5-bromo-2-(methoxymethoxy)phenyl]methanol?
[5-bromo-2-(methoxymethoxy)phenyl]methanol has a molecular weight of 247.09 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(methoxymethoxy)phenyl]methanol is sourced from PubChem (CID 54142346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).