methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate

C11H13FO4 — CID 62214650

IUPACmethyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H13FO4/c1-11(14,10(13)16-3)7-4-5-9(15-2)8(12)6-7/h4-6,14H,1-3H3
InChIKeyKUXSSLTVLDUXLM-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate

methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate (PubChem CID 62214650) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
PubChem CID62214650
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H13FO4/c1-11(14,10(13)16-3)7-4-5-9(15-2)8(12)6-7/h4-6,14H,1-3H3
InChIKeyKUXSSLTVLDUXLM-UHFFFAOYSA-N
XLogP1.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluoro-4-methoxyphenyl)-2-(propylamino)propanoate
CID 60796252
methyl 2-(cyclopentylamino)-2-(3-fluoro-4-methoxyphenyl)propanoate
CID 60998641
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
2-(cyclopropylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 43754500
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
2-(cyclohexylamino)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 60998426
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
2-(3-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82075819
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate?
The IUPAC name of methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate (CID 62214650) is methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate.
What is the SMILES notation for methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate?
The canonical SMILES for methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate is COC(=O)C(C)(O)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate?
The InChIKey is KUXSSLTVLDUXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-11(14,10(13)16-3)7-4-5-9(15-2)8(12)6-7/h4-6,14H,1-3H3.
What are the key properties of methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate?
methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate has a molecular weight of 228.22 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 62214650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).