methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate

C11H14O4 — CID 523519

IUPACmethyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(O)Cc1ccc(OC)cc1
InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6,10,12H,7H2,1-2H3
InChIKeyLDDFEROTLHOWEW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.77
Rot. Bonds4

About methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate

methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate (PubChem CID 523519) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
PubChem CID523519
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(O)Cc1ccc(OC)cc1
InChIInChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6,10,12H,7H2,1-2H3
InChIKeyLDDFEROTLHOWEW-UHFFFAOYSA-N
XLogP0.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
2-[1-(4-methoxyphenyl)propan-2-ylamino]oxyacetamide
CID 112672774
methyl (2S)-2-[1-(4-methoxyphenyl)propan-2-ylamino]-3-methylbutanoate
CID 43508849
methyl 2-azido-3-(4-methoxyphenyl)propanoate
CID 10444067
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate (CID 523519) is methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate is COC(=O)C(O)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is LDDFEROTLHOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-9)7-10(12)11(13)15-2/h3-6,10,12H,7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate?
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 523519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).