2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol

C13H19BrO3 — CID 117488210

IUPAC2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol
SMILESCOc1c(Br)cc(CCO)c(C(C)C)c1OC
InChIInChI=1S/C13H19BrO3/c1-8(2)11-9(5-6-15)7-10(14)12(16-3)13(11)17-4/h7-8,15H,5-6H2,1-4H3
InChIKeyRNZXWEJAFVPYHY-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.12
Rot. Bonds5

About 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol

2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol (PubChem CID 117488210) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol
PubChem CID117488210
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol
SMILESCOc1c(Br)cc(CCO)c(C(C)C)c1OC
InChIInChI=1S/C13H19BrO3/c1-8(2)11-9(5-6-15)7-10(14)12(16-3)13(11)17-4/h7-8,15H,5-6H2,1-4H3
InChIKeyRNZXWEJAFVPYHY-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)methanamine
CID 117465374
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117466700
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
3-(5-bromo-2,3,4-trimethoxyphenyl)propane-1-thiol
CID 83925670
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)acetic acid
CID 117466771

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol (CID 117488210) is 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol is COc1c(Br)cc(CCO)c(C(C)C)c1OC.
What is the InChIKey of 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol?
The InChIKey is RNZXWEJAFVPYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-8(2)11-9(5-6-15)7-10(14)12(16-3)13(11)17-4/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol?
2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol has a molecular weight of 303.20 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 117488210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).