1-(2-bromo-4,5-dimethoxyphenyl)ethanol

C10H13BrO3 — CID 12605921

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(Br)c(C(C)O)cc1OC
InChIInChI=1S/C10H13BrO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-6,12H,1-3H3
InChIKeyPOAIULOTHYOPIK-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-bromo-4,5-dimethoxyphenyl)ethanol

1-(2-bromo-4,5-dimethoxyphenyl)ethanol (PubChem CID 12605921) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)ethanol
PubChem CID12605921
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(Br)c(C(C)O)cc1OC
InChIInChI=1S/C10H13BrO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-6,12H,1-3H3
InChIKeyPOAIULOTHYOPIK-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

(1S,2R)-1-amino-1-(2-bromo-4,5-dimethoxyphenyl)propan-2-ol
CID 171266626
1-bromo-2-(1-bromoethyl)-4,5-dimethoxybenzene
CID 61096538
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 55134769
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
methyl 3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865302
(2-bromo-4,5-dimethoxyphenyl)-cyclopropylmethanol
CID 61087765
(2-bromo-4,5-dimethoxyphenyl)-(3,5-dimethylphenyl)methanol
CID 61088323
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
2-amino-1-(2-bromo-4,5-dimethoxyphenyl)butane-1,4-diol
CID 83943810
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)ethanol (CID 12605921) is 1-(2-bromo-4,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)ethanol is COc1cc(Br)c(C(C)O)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)ethanol?
The InChIKey is POAIULOTHYOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-6,12H,1-3H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)ethanol?
1-(2-bromo-4,5-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-4,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 12605921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).