1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol

C10H12BrFO2 — CID 62608798

IUPAC1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFO2/c1-14-6-9(13)5-7-4-8(12)2-3-10(7)11/h2-4,9,13H,5-6H2,1H3
InChIKeyGVVGFPCOSBNBRU-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol

1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol (PubChem CID 62608798) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
PubChem CID62608798
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFO2/c1-14-6-9(13)5-7-4-8(12)2-3-10(7)11/h2-4,9,13H,5-6H2,1H3
InChIKeyGVVGFPCOSBNBRU-UHFFFAOYSA-N
XLogP2.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62606118
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CID 62608381
1-(2-bromo-5-fluorophenyl)-3-phenylpropan-2-ol
CID 62607777
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
1-(2-bromo-5-fluorophenyl)nonan-2-ol
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3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
1-(2-bromo-5-fluorophenyl)-4-phenylpentan-2-ol
CID 65149860
1-(2-bromo-5-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 63410719
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102928014
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol (CID 62608798) is 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol is COCC(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol?
The InChIKey is GVVGFPCOSBNBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-14-6-9(13)5-7-4-8(12)2-3-10(7)11/h2-4,9,13H,5-6H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol?
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol is sourced from PubChem (CID 62608798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).