1-(2-bromo-4,6-dimethoxyphenyl)ethanol

C10H13BrO3 — CID 84710416

IUPAC1-(2-bromo-4,6-dimethoxyphenyl)ethanol
SMILESCOc1cc(Br)c(C(C)O)c(OC)c1
InChIInChI=1S/C10H13BrO3/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-6,12H,1-3H3
InChIKeyIGVDLMLZGNMRAY-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-bromo-4,6-dimethoxyphenyl)ethanol

1-(2-bromo-4,6-dimethoxyphenyl)ethanol (PubChem CID 84710416) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-(2-bromo-4,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4,6-dimethoxyphenyl)ethanol
PubChem CID84710416
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name1-(2-bromo-4,6-dimethoxyphenyl)ethanol
SMILESCOc1cc(Br)c(C(C)O)c(OC)c1
InChIInChI=1S/C10H13BrO3/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-6,12H,1-3H3
InChIKeyIGVDLMLZGNMRAY-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-bromo-4,6-dimethoxyphenyl)ethanamine
CID 82759020
(1R)-1-(2-bromo-4,6-dimethoxyphenyl)propan-1-ol
CID 82758458
1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol
CID 150637393
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
1-(3-bromo-5-methoxy-2-methylphenyl)ethanol
CID 84704874
3-methyl-1-(2,4,6-trimethoxyphenyl)but-2-en-1-ol
CID 79189463
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
(3R)-3-(2,4,6-trimethoxyphenyl)butan-2-one
CID 86312414
(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 114634255
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
N,N-dimethyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 116914648

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4,6-dimethoxyphenyl)ethanol (CID 84710416) is 1-(2-bromo-4,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4,6-dimethoxyphenyl)ethanol is COc1cc(Br)c(C(C)O)c(OC)c1.
What is the InChIKey of 1-(2-bromo-4,6-dimethoxyphenyl)ethanol?
The InChIKey is IGVDLMLZGNMRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-6(12)10-8(11)4-7(13-2)5-9(10)14-3/h4-6,12H,1-3H3.
What are the key properties of 1-(2-bromo-4,6-dimethoxyphenyl)ethanol?
1-(2-bromo-4,6-dimethoxyphenyl)ethanol has a molecular weight of 261.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 84710416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).