2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde

C9H9BrO3 — CID 71769437

IUPAC2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde
SMILESCOc1c(O)ccc(Br)c1CC=O
InChIInChI=1S/C9H9BrO3/c1-13-9-6(4-5-11)7(10)2-3-8(9)12/h2-3,5,12H,4H2,1H3
InChIKeyRVFKWVBFAKGPBG-UHFFFAOYSA-N
MW245.07 g/mol
LogP1.90
Rot. Bonds3

About 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde

2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde (PubChem CID 71769437) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde
PubChem CID71769437
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde
SMILESCOc1c(O)ccc(Br)c1CC=O
InChIInChI=1S/C9H9BrO3/c1-13-9-6(4-5-11)7(10)2-3-8(9)12/h2-3,5,12H,4H2,1H3
InChIKeyRVFKWVBFAKGPBG-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
CID 117409388
2-(3-bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde
CID 10380614
2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 146451496
3-(6-bromo-2,3-dimethoxyphenyl)propanal
CID 117434965
2-(3-bromo-4,5-dimethoxyphenyl)acetaldehyde
CID 59259548
2-(6-hydroxy-2,3-dimethylphenyl)acetaldehyde
CID 54204979
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
CID 142702525
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-(2-ethyl-4-hydroxy-3-methoxyphenyl)ethanone
CID 147717249
(6-formyl-3-hydroxy-2-methoxyphenyl)phosphonic acid
CID 21125891
3-ethenyl-4-ethyl-2-methoxyphenol
CID 174818849
2-(6-bromo-3-cyano-2-methoxyphenyl)acetic acid
CID 131336357

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde (CID 71769437) is 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde is COc1c(O)ccc(Br)c1CC=O.
What is the InChIKey of 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde?
The InChIKey is RVFKWVBFAKGPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-13-9-6(4-5-11)7(10)2-3-8(9)12/h2-3,5,12H,4H2,1H3.
What are the key properties of 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde?
2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde has a molecular weight of 245.07 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 71769437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).