2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane

C11H17BrO4 — CID 67671436

IUPAC2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane
SMILESCOCOCOC.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C7H7BrO.C4H10O3/c1-5-2-3-7(9)6(8)4-5;1-5-3-7-4-6-2/h2-4,9H,1H3;3-4H2,1-2H3
InChIKeyFXICYVLIXKNYJG-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.67
Rot. Bonds4

About 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane

2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane (PubChem CID 67671436) has the molecular formula C11H17BrO4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane.

Molecular Properties

Compound Name2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane
PubChem CID67671436
Molecular FormulaC11H17BrO4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane
SMILESCOCOCOC.Cc1ccc(O)c(Br)c1
InChIInChI=1S/C7H7BrO.C4H10O3/c1-5-2-3-7(9)6(8)4-5;1-5-3-7-4-6-2/h2-4,9H,1H3;3-4H2,1-2H3
InChIKeyFXICYVLIXKNYJG-UHFFFAOYSA-N
XLogP2.67
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 158132075
2-bromo-1-(methoxymethoxy)-4-methylbenzene;2-bromo-4-methylphenol;dimethoxymethane
CID 158942967
zinc;2-bromo-4-methylphenol;oxygen(2-)
CID 174743291
2-bromo-1-(2-bromoethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 161031676
6-bromo-2,3-dihydro-1-benzofuran-5-ol;methoxy(methoxymethoxy)methane
CID 22159432
2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
CID 63046876
2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
CID 67836332
2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-(3-methoxypropoxy)-4-methylphenol
CID 59224290
2,4-dibromophenol;methanol
CID 174690931
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane?
The IUPAC name of 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane (CID 67671436) is 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane.
What is the SMILES notation for 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane?
The canonical SMILES for 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane is COCOCOC.Cc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane?
The InChIKey is FXICYVLIXKNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO.C4H10O3/c1-5-2-3-7(9)6(8)4-5;1-5-3-7-4-6-2/h2-4,9H,1H3;3-4H2,1-2H3.
What are the key properties of 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane?
2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane has a molecular weight of 293.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylphenol;methoxy(methoxymethoxy)methane is sourced from PubChem (CID 67671436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).