[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol

C12H17BrO5 — CID 121001110

IUPAC[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol
SMILESCOCOc1cc(CO)c(Br)c(OCOC)c1C
InChIInChI=1S/C12H17BrO5/c1-8-10(17-6-15-2)4-9(5-14)11(13)12(8)18-7-16-3/h4,14H,5-7H2,1-3H3
InChIKeyZEQQLHFHGUGQBP-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.22
Rot. Bonds7

About [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol

[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol (PubChem CID 121001110) has the molecular formula C12H17BrO5 and a molecular weight of 321.17 g/mol. Its IUPAC name is [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol.

Molecular Properties

Compound Name[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol
PubChem CID121001110
Molecular FormulaC12H17BrO5
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol
SMILESCOCOc1cc(CO)c(Br)c(OCOC)c1C
InChIInChI=1S/C12H17BrO5/c1-8-10(17-6-15-2)4-9(5-14)11(13)12(8)18-7-16-3/h4,14H,5-7H2,1-3H3
InChIKeyZEQQLHFHGUGQBP-UHFFFAOYSA-N
XLogP2.22
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
2,6-bis(methoxymethoxy)-1,5-dimethylnaphthalene;1,5-dibromo-2,6-bis(methoxymethoxy)naphthalene
CID 158698772
[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
CID 167103502
[2-(methoxymethoxy)phenyl]methanol
CID 10920904
[3-ethoxy-2-(methoxymethoxy)phenyl]methanol
CID 65364783
3-bromo-2-(methoxymethoxy)-1-methylnaphthalene
CID 135380428
1-bromo-3-methoxy-2-(methoxymethoxy)naphthalene
CID 135381311
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
3-bromo-5-hydroxy-7-(methoxymethoxy)-2,6-dimethylnaphthalene-1,4-dione
CID 12041026
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol?
The IUPAC name of [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol (CID 121001110) is [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol.
What is the SMILES notation for [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol?
The canonical SMILES for [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol is COCOc1cc(CO)c(Br)c(OCOC)c1C.
What is the InChIKey of [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol?
The InChIKey is ZEQQLHFHGUGQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO5/c1-8-10(17-6-15-2)4-9(5-14)11(13)12(8)18-7-16-3/h4,14H,5-7H2,1-3H3.
What are the key properties of [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol?
[2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol has a molecular weight of 321.17 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-3,5-bis(methoxymethoxy)-4-methylphenyl]methanol is sourced from PubChem (CID 121001110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).