(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one

C11H13FO3 — CID 102338974

IUPAC(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one
SMILESCOc1cccc(F)c1[C@H](O)CC(C)=O
InChIInChI=1S/C11H13FO3/c1-7(13)6-9(14)11-8(12)4-3-5-10(11)15-2/h3-5,9,14H,6H2,1-2H3/t9-/m1/s1
InChIKeyDMTZJVGDAYOBSP-SECBINFHSA-N
MW212.22 g/mol
LogP1.85
Rot. Bonds4

About (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one

(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one (PubChem CID 102338974) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one
PubChem CID102338974
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one
SMILESCOc1cccc(F)c1[C@H](O)CC(C)=O
InChIInChI=1S/C11H13FO3/c1-7(13)6-9(14)11-8(12)4-3-5-10(11)15-2/h3-5,9,14H,6H2,1-2H3/t9-/m1/s1
InChIKeyDMTZJVGDAYOBSP-SECBINFHSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one?
The IUPAC name of (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one (CID 102338974) is (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one.
What is the SMILES notation for (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one?
The canonical SMILES for (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one is COc1cccc(F)c1[C@H](O)CC(C)=O.
What is the InChIKey of (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one?
The InChIKey is DMTZJVGDAYOBSP-SECBINFHSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7(13)6-9(14)11-8(12)4-3-5-10(11)15-2/h3-5,9,14H,6H2,1-2H3/t9-/m1/s1.
What are the key properties of (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one?
(4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one has a molecular weight of 212.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-fluoro-6-methoxyphenyl)-4-hydroxybutan-2-one is sourced from PubChem (CID 102338974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).