dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate

C16H22O6 — CID 155933233

IUPACdimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
SMILESCOC(=O)C(CCCOCc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C16H22O6/c1-19-13-8-6-12(7-9-13)11-22-10-4-5-14(15(17)20-2)16(18)21-3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyFHGYHCLEJPFJNV-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.95
Rot. Bonds9

About dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate

dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate (PubChem CID 155933233) has the molecular formula C16H22O6 and a molecular weight of 310.35 g/mol. Its IUPAC name is dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
PubChem CID155933233
Molecular FormulaC16H22O6
Molecular Weight310.35 g/mol
Exact Mass310.14
IUPAC Namedimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate
SMILESCOC(=O)C(CCCOCc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C16H22O6/c1-19-13-8-6-12(7-9-13)11-22-10-4-5-14(15(17)20-2)16(18)21-3/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyFHGYHCLEJPFJNV-UHFFFAOYSA-N
XLogP1.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
5-[(4-methoxyphenyl)methoxy]-2-[3-[(4-methoxyphenyl)methoxy]propyl]pentan-1-ol
CID 11025823
2-[3-[(4-methoxyphenyl)methoxy]propyl]propane-1,3-diol
CID 24742721
5-[(4-methoxyphenyl)methoxy]pentanehydrazide
CID 63575038
(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
methyl 3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-methylidenepentanoate
CID 11550899
1-amino-N-[3-[(4-methoxyphenyl)methoxy]propyl]cyclohexane-1-carboxamide
CID 119316937
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577
1-(4-methoxyphenoxy)-6-[(4-methoxyphenyl)methoxy]hexan-2-ol
CID 10970441
dimethyl 2-[[4-(2-phenylmethoxyethoxy)phenyl]methyl]propanedioate
CID 54426969

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate?
The IUPAC name of dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate (CID 155933233) is dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate.
What is the SMILES notation for dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate?
The canonical SMILES for dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate is COC(=O)C(CCCOCc1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate?
The InChIKey is FHGYHCLEJPFJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O6/c1-19-13-8-6-12(7-9-13)11-22-10-4-5-14(15(17)20-2)16(18)21-3/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate?
dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate has a molecular weight of 310.35 g/mol, XLogP of 1.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[3-[(4-methoxyphenyl)methoxy]propyl]propanedioate is sourced from PubChem (CID 155933233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).