(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate

C10H8BrO5- — CID 86741085

IUPAC(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate
SMILESCOc1ccc(Br)c(C=O)c1COC(=O)[O-]
InChIInChI=1S/C10H9BrO5/c1-15-9-3-2-8(11)6(4-12)7(9)5-16-10(13)14/h2-4H,5H2,1H3,(H,13,14)/p-1
InChIKeyNZINYZZKZPYBSU-UHFFFAOYSA-M
MW288.07 g/mol
LogP1.13
Rot. Bonds4

About (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate

(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate (PubChem CID 86741085) has the molecular formula C10H8BrO5- and a molecular weight of 288.07 g/mol. Its IUPAC name is (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate.

Molecular Properties

Compound Name(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate
PubChem CID86741085
Molecular FormulaC10H8BrO5-
Molecular Weight288.07 g/mol
Exact Mass286.96
IUPAC Name(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate
SMILESCOc1ccc(Br)c(C=O)c1COC(=O)[O-]
InChIInChI=1S/C10H9BrO5/c1-15-9-3-2-8(11)6(4-12)7(9)5-16-10(13)14/h2-4H,5H2,1H3,(H,13,14)/p-1
InChIKeyNZINYZZKZPYBSU-UHFFFAOYSA-M
XLogP1.13
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.07
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
CID 10512624
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
6-bromo-2-hydroxy-3-methoxybenzaldehyde;2-hydroxy-3-methoxybenzaldehyde
CID 160668969
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
2-amino-3-(6-bromo-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117468151
6-bromo-2-[(E)-1,2-dichloroethenoxy]-3-methoxybenzaldehyde
CID 25194733
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
N-[3-bromo-6-methoxy-2-(3-oxopropyl)phenyl]acetamide
CID 117483193
2-(3-bromo-2-formyl-6-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 66529290
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate?
The IUPAC name of (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate (CID 86741085) is (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate.
What is the SMILES notation for (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate?
The canonical SMILES for (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate is COc1ccc(Br)c(C=O)c1COC(=O)[O-].
What is the InChIKey of (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate?
The InChIKey is NZINYZZKZPYBSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9BrO5/c1-15-9-3-2-8(11)6(4-12)7(9)5-16-10(13)14/h2-4H,5H2,1H3,(H,13,14)/p-1.
What are the key properties of (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate?
(3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate has a molecular weight of 288.07 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-formyl-6-methoxyphenyl)methyl carbonate is sourced from PubChem (CID 86741085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).