1-(2-bromo-3-methoxy-4-methylphenyl)ethanol

C10H13BrO2 — CID 117364093

IUPAC1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
SMILESCOc1c(C)ccc(C(C)O)c1Br
InChIInChI=1S/C10H13BrO2/c1-6-4-5-8(7(2)12)9(11)10(6)13-3/h4-5,7,12H,1-3H3
InChIKeyPXHQJQXWMHLOJE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.82
Rot. Bonds2

About 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol

1-(2-bromo-3-methoxy-4-methylphenyl)ethanol (PubChem CID 117364093) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
PubChem CID117364093
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
SMILESCOc1c(C)ccc(C(C)O)c1Br
InChIInChI=1S/C10H13BrO2/c1-6-4-5-8(7(2)12)9(11)10(6)13-3/h4-5,7,12H,1-3H3
InChIKeyPXHQJQXWMHLOJE-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
2-bromo-3-(1-hydroxyethyl)-6-methylphenol
CID 117333512
1-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453
1,2-dibromo-3-methoxy-4-methylbenzene
CID 54359469
1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
CID 84704881
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
1-(2,3-dimethoxy-4-methylsulfanylphenyl)ethanol
CID 84692045

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol (CID 117364093) is 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol is COc1c(C)ccc(C(C)O)c1Br.
What is the InChIKey of 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol?
The InChIKey is PXHQJQXWMHLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6-4-5-8(7(2)12)9(11)10(6)13-3/h4-5,7,12H,1-3H3.
What are the key properties of 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol?
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol has a molecular weight of 245.12 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 117364093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).