(4-methoxyphenyl)methyl hypobromite

C8H9BrO2 — CID 166766888

IUPAC(4-methoxyphenyl)methyl hypobromite
SMILESCOc1ccc(COBr)cc1
InChIInChI=1S/C8H9BrO2/c1-10-8-4-2-7(3-5-8)6-11-9/h2-5H,6H2,1H3
InChIKeyLAQKTGSCPSBTBC-UHFFFAOYSA-N
MW217.06 g/mol
LogP2.52
Rot. Bonds3

About (4-methoxyphenyl)methyl hypobromite

(4-methoxyphenyl)methyl hypobromite (PubChem CID 166766888) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl hypobromite.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl hypobromite
PubChem CID166766888
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name(4-methoxyphenyl)methyl hypobromite
SMILESCOc1ccc(COBr)cc1
InChIInChI=1S/C8H9BrO2/c1-10-8-4-2-7(3-5-8)6-11-9/h2-5H,6H2,1H3
InChIKeyLAQKTGSCPSBTBC-UHFFFAOYSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methoxyphenyl)methyl hypobromite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
tetrakis[(4-methoxyphenyl)methoxy]boranuide
CID 101479355
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
(4-methoxyphenyl)(113C)methyl-trimethylsilane
CID 101034579
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
isocyanic acid;1-methoxy-4-(methoxymethyl)benzene
CID 88803383

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl hypobromite?
The IUPAC name of (4-methoxyphenyl)methyl hypobromite (CID 166766888) is (4-methoxyphenyl)methyl hypobromite.
What is the SMILES notation for (4-methoxyphenyl)methyl hypobromite?
The canonical SMILES for (4-methoxyphenyl)methyl hypobromite is COc1ccc(COBr)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl hypobromite?
The InChIKey is LAQKTGSCPSBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-10-8-4-2-7(3-5-8)6-11-9/h2-5H,6H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl hypobromite?
(4-methoxyphenyl)methyl hypobromite has a molecular weight of 217.06 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl hypobromite is sourced from PubChem (CID 166766888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).