2-(2-bromo-6-methoxy-4-methylphenyl)ethanol

C10H13BrO2 — CID 11436497

IUPAC2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)cc(Br)c1CCO
InChIInChI=1S/C10H13BrO2/c1-7-5-9(11)8(3-4-12)10(6-7)13-2/h5-6,12H,3-4H2,1-2H3
InChIKeyMRABZXWVGHJVIN-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol

2-(2-bromo-6-methoxy-4-methylphenyl)ethanol (PubChem CID 11436497) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
PubChem CID11436497
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)cc(Br)c1CCO
InChIInChI=1S/C10H13BrO2/c1-7-5-9(11)8(3-4-12)10(6-7)13-2/h5-6,12H,3-4H2,1-2H3
InChIKeyMRABZXWVGHJVIN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-methoxy-4-methylphenyl)acetonitrile
CID 84800310
4-[(2-bromo-6-methoxy-4-methylphenyl)methyl]piperidine
CID 84815988
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]ethanol
CID 115216434
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
methyl 2-bromo-6-methoxy-4-methylbenzoate
CID 131571663
1-(2-bromo-6-methoxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84809527
2-(2-bromo-6-methoxy-4-methylphenoxy)acetic acid
CID 172907938

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol (CID 11436497) is 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol is COc1cc(C)cc(Br)c1CCO.
What is the InChIKey of 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol?
The InChIKey is MRABZXWVGHJVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7-5-9(11)8(3-4-12)10(6-7)13-2/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol?
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol has a molecular weight of 245.12 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 11436497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).