1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol

C11H14BrFO2 — CID 115624906

IUPAC1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO2/c1-7(6-15-2)11(14)9-5-8(12)3-4-10(9)13/h3-5,7,11,14H,6H2,1-2H3
InChIKeyDWSCXCDNWZENHO-UHFFFAOYSA-N
MW277.13 g/mol
LogP2.90
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol

1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol (PubChem CID 115624906) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
PubChem CID115624906
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol
SMILESCOCC(C)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFO2/c1-7(6-15-2)11(14)9-5-8(12)3-4-10(9)13/h3-5,7,11,14H,6H2,1-2H3
InChIKeyDWSCXCDNWZENHO-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
methyl 2-[(5-bromo-2-fluorophenyl)-hydroxymethyl]-3-methylbutanoate
CID 55071559
1-(4-bromo-2-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836125
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263447
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-methoxybutan-2-amine
CID 81338305
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
1-(5-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 79742752
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
(5-bromo-2-fluorophenyl)-[methoxy(methyl)amino]methanol
CID 101161793
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 83933858

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol (CID 115624906) is 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol is COCC(C)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol?
The InChIKey is DWSCXCDNWZENHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-7(6-15-2)11(14)9-5-8(12)3-4-10(9)13/h3-5,7,11,14H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol?
1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol has a molecular weight of 277.13 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 115624906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).