1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one

C10H10BrFO3 — CID 84714597

IUPAC1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
SMILESCOc1c(Br)cc(F)c(CC(C)=O)c1O
InChIInChI=1S/C10H10BrFO3/c1-5(13)3-6-8(12)4-7(11)10(15-2)9(6)14/h4,14H,3H2,1-2H3
InChIKeySPFIVLQJPZAYOU-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.43
Rot. Bonds3

About 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one

1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one (PubChem CID 84714597) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
PubChem CID84714597
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Name1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one
SMILESCOc1c(Br)cc(F)c(CC(C)=O)c1O
InChIInChI=1S/C10H10BrFO3/c1-5(13)3-6-8(12)4-7(11)10(15-2)9(6)14/h4,14H,3H2,1-2H3
InChIKeySPFIVLQJPZAYOU-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-fluoro-2-methoxy-6-(methylaminomethyl)phenol
CID 84711178
1-(3-bromo-2-hydroxy-5,6-dimethoxyphenyl)propan-2-one
CID 117466719
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
1-(6-bromo-3-methoxy-2,4-dimethylphenyl)propan-2-one
CID 117430448
1-(5-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propan-2-one
CID 84713496
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
1-(3-fluoro-5-hydroxy-4-methoxyphenyl)propan-2-one
CID 117287591
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
2-(3-bromo-5-fluoro-2-hydroxy-4-methoxyphenyl)acetic acid
CID 84811493
N-(2,4-dibromo-6-fluoro-3-methoxyphenyl)acetamide
CID 86654326

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one (CID 84714597) is 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one is COc1c(Br)cc(F)c(CC(C)=O)c1O.
What is the InChIKey of 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one?
The InChIKey is SPFIVLQJPZAYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-5(13)3-6-8(12)4-7(11)10(15-2)9(6)14/h4,14H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one?
1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one has a molecular weight of 277.09 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-6-fluoro-2-hydroxy-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 84714597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).