1-(3-bromo-2-methoxy-6-methylphenyl)ethanol

C10H13BrO2 — CID 84704881

IUPAC1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
SMILESCOc1c(Br)ccc(C)c1C(C)O
InChIInChI=1S/C10H13BrO2/c1-6-4-5-8(11)10(13-3)9(6)7(2)12/h4-5,7,12H,1-3H3
InChIKeyGPODUZSYUPAISQ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.82
Rot. Bonds2

About 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol

1-(3-bromo-2-methoxy-6-methylphenyl)ethanol (PubChem CID 84704881) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
PubChem CID84704881
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
SMILESCOc1c(Br)ccc(C)c1C(C)O
InChIInChI=1S/C10H13BrO2/c1-6-4-5-8(11)10(13-3)9(6)7(2)12/h4-5,7,12H,1-3H3
InChIKeyGPODUZSYUPAISQ-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-(2-methoxy-3,6-dimethylphenyl)ethanol
CID 117278453
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
3-bromo-2-methoxy-6-methylaniline
CID 84723819
1,2-dibromo-3-methoxy-4-methylbenzene
CID 54359469
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol (CID 84704881) is 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol is COc1c(Br)ccc(C)c1C(C)O.
What is the InChIKey of 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol?
The InChIKey is GPODUZSYUPAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6-4-5-8(11)10(13-3)9(6)7(2)12/h4-5,7,12H,1-3H3.
What are the key properties of 1-(3-bromo-2-methoxy-6-methylphenyl)ethanol?
1-(3-bromo-2-methoxy-6-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-(3-bromo-2-methoxy-6-methylphenyl)ethanol is sourced from PubChem (CID 84704881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).