2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol

C11H14Br2O4 — CID 170993629

IUPAC2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol
SMILESCOC(OC)c1c(Br)cc(OCCO)cc1Br
InChIInChI=1S/C11H14Br2O4/c1-15-11(16-2)10-8(12)5-7(6-9(10)13)17-4-3-14/h5-6,11,14H,3-4H2,1-2H3
InChIKeyFVVGUKBSKMHHGW-UHFFFAOYSA-N
MW370.04 g/mol
LogP2.87
Rot. Bonds6

About 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol

2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol (PubChem CID 170993629) has the molecular formula C11H14Br2O4 and a molecular weight of 370.04 g/mol. Its IUPAC name is 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol
PubChem CID170993629
Molecular FormulaC11H14Br2O4
Molecular Weight370.04 g/mol
Exact Mass367.93
IUPAC Name2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol
SMILESCOC(OC)c1c(Br)cc(OCCO)cc1Br
InChIInChI=1S/C11H14Br2O4/c1-15-11(16-2)10-8(12)5-7(6-9(10)13)17-4-3-14/h5-6,11,14H,3-4H2,1-2H3
InChIKeyFVVGUKBSKMHHGW-UHFFFAOYSA-N
XLogP2.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dibromophenoxy)ethanol
CID 125479638
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
2-[3-bromo-4-[(propan-2-ylamino)methyl]phenoxy]ethanol
CID 115575836
1,2,3-tribromo-5-[2-(3,4,5-tribromophenoxy)ethoxy]benzene
CID 57181302
2-[3-chloro-5-(2-hydroxyethoxy)phenoxy]ethanol
CID 54038432
2-[5-bromo-4-(hydroxyiminomethyl)-2-methoxyphenoxy]ethanol
CID 57368753
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
CID 162335780
CID 162335780
2,6-ditert-butyl-4-(2-hydroxyethoxy)phenol
CID 22769816
2-bromo-N'-hydroxy-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107278941
1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane
CID 162249384
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol?
The IUPAC name of 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol (CID 170993629) is 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol?
The canonical SMILES for 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol is COC(OC)c1c(Br)cc(OCCO)cc1Br.
What is the InChIKey of 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol?
The InChIKey is FVVGUKBSKMHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2O4/c1-15-11(16-2)10-8(12)5-7(6-9(10)13)17-4-3-14/h5-6,11,14H,3-4H2,1-2H3.
What are the key properties of 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol?
2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol has a molecular weight of 370.04 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dibromo-4-(dimethoxymethyl)phenoxy]ethanol is sourced from PubChem (CID 170993629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).