methyl 3-methoxy-2-(3-methoxyphenyl)propanoate

C12H16O4 — CID 117243532

IUPACmethyl 3-methoxy-2-(3-methoxyphenyl)propanoate
SMILESCOCC(C(=O)OC)c1cccc(OC)c1
InChIInChI=1S/C12H16O4/c1-14-8-11(12(13)16-3)9-5-4-6-10(7-9)15-2/h4-7,11H,8H2,1-3H3
InChIKeyFCQKTHAEHZYVIR-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.60
Rot. Bonds5

About methyl 3-methoxy-2-(3-methoxyphenyl)propanoate

methyl 3-methoxy-2-(3-methoxyphenyl)propanoate (PubChem CID 117243532) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 3-methoxy-2-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-(3-methoxyphenyl)propanoate
PubChem CID117243532
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namemethyl 3-methoxy-2-(3-methoxyphenyl)propanoate
SMILESCOCC(C(=O)OC)c1cccc(OC)c1
InChIInChI=1S/C12H16O4/c1-14-8-11(12(13)16-3)9-5-4-6-10(7-9)15-2/h4-7,11H,8H2,1-3H3
InChIKeyFCQKTHAEHZYVIR-UHFFFAOYSA-N
XLogP1.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
methyl 4-(3-methoxyphenyl)-5-oxohexanoate
CID 11770832

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-(3-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-methoxy-2-(3-methoxyphenyl)propanoate (CID 117243532) is methyl 3-methoxy-2-(3-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-methoxy-2-(3-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-methoxy-2-(3-methoxyphenyl)propanoate is COCC(C(=O)OC)c1cccc(OC)c1.
What is the InChIKey of methyl 3-methoxy-2-(3-methoxyphenyl)propanoate?
The InChIKey is FCQKTHAEHZYVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-14-8-11(12(13)16-3)9-5-4-6-10(7-9)15-2/h4-7,11H,8H2,1-3H3.
What are the key properties of methyl 3-methoxy-2-(3-methoxyphenyl)propanoate?
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 117243532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).