1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol

C10H12Br2O4 — CID 70118989

IUPAC1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol
SMILESOC(Br)COc1ccc(OCC(O)Br)cc1
InChIInChI=1S/C10H12Br2O4/c11-9(13)5-15-7-1-2-8(4-3-7)16-6-10(12)14/h1-4,9-10,13-14H,5-6H2
InChIKeyANVQWDSSCRUFEB-UHFFFAOYSA-N
MW356.01 g/mol
LogP1.87
Rot. Bonds6

About 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol

1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol (PubChem CID 70118989) has the molecular formula C10H12Br2O4 and a molecular weight of 356.01 g/mol. Its IUPAC name is 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol.

Molecular Properties

Compound Name1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol
PubChem CID70118989
Molecular FormulaC10H12Br2O4
Molecular Weight356.01 g/mol
Exact Mass353.91
IUPAC Name1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol
SMILESOC(Br)COc1ccc(OCC(O)Br)cc1
InChIInChI=1S/C10H12Br2O4/c11-9(13)5-15-7-1-2-8(4-3-7)16-6-10(12)14/h1-4,9-10,13-14H,5-6H2
InChIKeyANVQWDSSCRUFEB-UHFFFAOYSA-N
XLogP1.87
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.01
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
(2S,3S)-3-bromo-1-(4-ethylphenoxy)butan-2-ol
CID 131857038
2-bromo-3-(4-methylphenoxy)propan-1-ol
CID 86054992
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
4-phenoxy-2-phenylbutane-1,3-diol
CID 57253485
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
1-[4-(chloromethyl)phenoxy]propan-2-ol
CID 134374781
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol?
The IUPAC name of 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol (CID 70118989) is 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol.
What is the SMILES notation for 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol?
The canonical SMILES for 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol is OC(Br)COc1ccc(OCC(O)Br)cc1.
What is the InChIKey of 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol?
The InChIKey is ANVQWDSSCRUFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O4/c11-9(13)5-15-7-1-2-8(4-3-7)16-6-10(12)14/h1-4,9-10,13-14H,5-6H2.
What are the key properties of 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol?
1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol has a molecular weight of 356.01 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[4-(2-bromo-2-hydroxyethoxy)phenoxy]ethanol is sourced from PubChem (CID 70118989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).