methyl 2-(3,4-diethoxyphenyl)propanoate

C14H20O4 — CID 55071930

IUPACmethyl 2-(3,4-diethoxyphenyl)propanoate
SMILESCCOc1ccc(C(C)C(=O)OC)cc1OCC
InChIInChI=1S/C14H20O4/c1-5-17-12-8-7-11(9-13(12)18-6-2)10(3)14(15)16-4/h7-10H,5-6H2,1-4H3
InChIKeyXZTHBQMOYWPSPK-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.76
Rot. Bonds6

About methyl 2-(3,4-diethoxyphenyl)propanoate

methyl 2-(3,4-diethoxyphenyl)propanoate (PubChem CID 55071930) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-(3,4-diethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3,4-diethoxyphenyl)propanoate
PubChem CID55071930
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 2-(3,4-diethoxyphenyl)propanoate
SMILESCCOc1ccc(C(C)C(=O)OC)cc1OCC
InChIInChI=1S/C14H20O4/c1-5-17-12-8-7-11(9-13(12)18-6-2)10(3)14(15)16-4/h7-10H,5-6H2,1-4H3
InChIKeyXZTHBQMOYWPSPK-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
CID 61328764
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
methyl 2-(4-ethoxy-3-fluorophenyl)butanoate
CID 116964396
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-diethoxyphenyl)propanoate?
The IUPAC name of methyl 2-(3,4-diethoxyphenyl)propanoate (CID 55071930) is methyl 2-(3,4-diethoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-(3,4-diethoxyphenyl)propanoate?
The canonical SMILES for methyl 2-(3,4-diethoxyphenyl)propanoate is CCOc1ccc(C(C)C(=O)OC)cc1OCC.
What is the InChIKey of methyl 2-(3,4-diethoxyphenyl)propanoate?
The InChIKey is XZTHBQMOYWPSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-17-12-8-7-11(9-13(12)18-6-2)10(3)14(15)16-4/h7-10H,5-6H2,1-4H3.
What are the key properties of methyl 2-(3,4-diethoxyphenyl)propanoate?
methyl 2-(3,4-diethoxyphenyl)propanoate has a molecular weight of 252.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-diethoxyphenyl)propanoate is sourced from PubChem (CID 55071930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).