1-(3-bromo-5-methoxy-2-methylphenyl)ethanol

C10H13BrO2 — CID 84704874

IUPAC1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
SMILESCOc1cc(Br)c(C)c(C(C)O)c1
InChIInChI=1S/C10H13BrO2/c1-6-9(7(2)12)4-8(13-3)5-10(6)11/h4-5,7,12H,1-3H3
InChIKeyRZXFLPSVJIIKRB-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.82
Rot. Bonds2

About 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol

1-(3-bromo-5-methoxy-2-methylphenyl)ethanol (PubChem CID 84704874) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
PubChem CID84704874
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
SMILESCOc1cc(Br)c(C)c(C(C)O)c1
InChIInChI=1S/C10H13BrO2/c1-6-9(7(2)12)4-8(13-3)5-10(6)11/h4-5,7,12H,1-3H3
InChIKeyRZXFLPSVJIIKRB-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-bromo-5-fluoro-2-methylphenyl)ethanol
CID 84696341
1-(5-methoxy-2-methylphenyl)ethanol
CID 84652412
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
1-(2-fluoro-3,5-dimethoxyphenyl)ethanol
CID 117289259
1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol
CID 117404933
(3,5-dimethoxy-2-methylphenyl)methanediol
CID 123413723
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520
2,6-dibromo-4-methoxyaniline
CID 542895
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol (CID 84704874) is 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol is COc1cc(Br)c(C)c(C(C)O)c1.
What is the InChIKey of 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol?
The InChIKey is RZXFLPSVJIIKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6-9(7(2)12)4-8(13-3)5-10(6)11/h4-5,7,12H,1-3H3.
What are the key properties of 1-(3-bromo-5-methoxy-2-methylphenyl)ethanol?
1-(3-bromo-5-methoxy-2-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-5-methoxy-2-methylphenyl)ethanol is sourced from PubChem (CID 84704874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).