2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol

C10H13BrO3 — CID 162503231

IUPAC2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
SMILESCOc1ccc(Br)cc1COCCO
InChIInChI=1S/C10H13BrO3/c1-13-10-3-2-9(11)6-8(10)7-14-5-4-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeySTXBHJWGPMWXBY-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.97
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol

2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol (PubChem CID 162503231) has the molecular formula C10H13BrO3 and a molecular weight of 261.11 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
PubChem CID162503231
Molecular FormulaC10H13BrO3
Molecular Weight261.11 g/mol
Exact Mass260.00
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol
SMILESCOc1ccc(Br)cc1COCCO
InChIInChI=1S/C10H13BrO3/c1-13-10-3-2-9(11)6-8(10)7-14-5-4-12/h2-3,6,12H,4-5,7H2,1H3
InChIKeySTXBHJWGPMWXBY-UHFFFAOYSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-methoxy-2-[(3-methoxy-3-methylbutoxy)methyl]benzene
CID 106666445
4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
N-[2-[(5-bromo-2-methoxyphenyl)methoxy]ethyl]propan-2-amine
CID 62342039
4-bromo-1-methoxy-2-(pent-4-enoxymethyl)benzene
CID 79112669
4-bromo-2-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006552
sodium;4-bromo-2-(bromomethyl)-1-methoxybenzene;5-[(5-bromo-2-methoxyphenyl)methoxy]pentan-1-ol;hydride;oxolane;pentane-1,5-diol
CID 163931681
2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64573817
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
2-[(5-bromo-2-methoxyphenyl)methyl-cyclopropylamino]ethanol
CID 60774401

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol (CID 162503231) is 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol is COc1ccc(Br)cc1COCCO.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol?
The InChIKey is STXBHJWGPMWXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-13-10-3-2-9(11)6-8(10)7-14-5-4-12/h2-3,6,12H,4-5,7H2,1H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol?
2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol has a molecular weight of 261.11 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methoxy]ethanol is sourced from PubChem (CID 162503231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).