methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate

C12H16FNO3 — CID 117354900

IUPACmethyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(CN(C)C)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-14(2)7-9-5-4-8(6-10(9)13)11(15)12(16)17-3/h4-6,11,15H,7H2,1-3H3
InChIKeyOYVXCYKNQYORPM-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.09
Rot. Bonds4

About methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate

methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate (PubChem CID 117354900) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate
PubChem CID117354900
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1ccc(CN(C)C)c(F)c1
InChIInChI=1S/C12H16FNO3/c1-14(2)7-9-5-4-8(6-10(9)13)11(15)12(16)17-3/h4-6,11,15H,7H2,1-3H3
InChIKeyOYVXCYKNQYORPM-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
methyl 2-[3-bromo-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117466740
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051
methyl 2-[3,4-bis(methylsulfanyl)phenyl]-2-hydroxyacetate
CID 117399691
ethyl (2R)-2-(3,4-difluorophenyl)-2-hydroxyacetate
CID 94365189
methyl 2-[3-bromo-4-(dimethylamino)phenyl]-2-hydroxyacetate
CID 117464980
methyl 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117357003
ethyl 2-(3-fluoro-4-methylphenyl)-2-hydroxyacetate
CID 63648295
(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
CID 161223884
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
methyl 2-[4-(diethylaminomethyl)phenyl]-2-hydroxyacetate
CID 117381834
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate (CID 117354900) is methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate is COC(=O)C(O)c1ccc(CN(C)C)c(F)c1.
What is the InChIKey of methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate?
The InChIKey is OYVXCYKNQYORPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-14(2)7-9-5-4-8(6-10(9)13)11(15)12(16)17-3/h4-6,11,15H,7H2,1-3H3.
What are the key properties of methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate?
methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate has a molecular weight of 241.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(dimethylamino)methyl]-3-fluorophenyl]-2-hydroxyacetate is sourced from PubChem (CID 117354900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).