1-(3-bromo-4-methylphenyl)-2-methoxyethanol

C10H13BrO2 — CID 115819132

IUPAC1-(3-bromo-4-methylphenyl)-2-methoxyethanol
SMILESCOCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C10H13BrO2/c1-7-3-4-8(5-9(7)11)10(12)6-13-2/h3-5,10,12H,6H2,1-2H3
InChIKeyQWMXWFBLAGCRNF-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.44
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-methoxyethanol

1-(3-bromo-4-methylphenyl)-2-methoxyethanol (PubChem CID 115819132) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-methoxyethanol
PubChem CID115819132
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(3-bromo-4-methylphenyl)-2-methoxyethanol
SMILESCOCC(O)c1ccc(C)c(Br)c1
InChIInChI=1S/C10H13BrO2/c1-7-3-4-8(5-9(7)11)10(12)6-13-2/h3-5,10,12H,6H2,1-2H3
InChIKeyQWMXWFBLAGCRNF-UHFFFAOYSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
(1S)-1-(3-bromo-4-methylphenyl)-2-(chloroamino)ethanol
CID 58666985
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
1-(4-bromo-3-methylphenyl)-2-(2-methoxyethylamino)ethanol
CID 66481306
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
1-(3-bromo-4-methylphenyl)-3-cyclopropylpropan-1-ol
CID 115810923
1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-methoxyethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-methoxyethanol (CID 115819132) is 1-(3-bromo-4-methylphenyl)-2-methoxyethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-methoxyethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-methoxyethanol is COCC(O)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-methoxyethanol?
The InChIKey is QWMXWFBLAGCRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7-3-4-8(5-9(7)11)10(12)6-13-2/h3-5,10,12H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-methoxyethanol?
1-(3-bromo-4-methylphenyl)-2-methoxyethanol has a molecular weight of 245.12 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-methoxyethanol is sourced from PubChem (CID 115819132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).