bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate

C19H20O8 — CID 19075817

IUPACbis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
SMILESCOc1ccc(COC(=O)C(O)(O)C(=O)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O8/c1-24-15-7-3-13(4-8-15)11-26-17(20)19(22,23)18(21)27-12-14-5-9-16(25-2)10-6-14/h3-10,22-23H,11-12H2,1-2H3
InChIKeyJTFORBKWSLFAPK-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.17
Rot. Bonds8

About bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate

bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate (PubChem CID 19075817) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate.

Molecular Properties

Compound Namebis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
PubChem CID19075817
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Namebis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate
SMILESCOc1ccc(COC(=O)C(O)(O)C(=O)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C19H20O8/c1-24-15-7-3-13(4-8-15)11-26-17(20)19(22,23)18(21)27-12-14-5-9-16(25-2)10-6-14/h3-10,22-23H,11-12H2,1-2H3
InChIKeyJTFORBKWSLFAPK-UHFFFAOYSA-N
XLogP1.17
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841
(4-methoxyphenyl)methyl 2-(aminomethyl)-2-ethylbutanoate
CID 115430699
(4-methoxyphenyl)methyl 2,2-difluoro-2-sulfanylacetate
CID 163433987
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
(4-methoxyphenyl)methyl 2-bromoacetate
CID 10587465
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626

Frequently Asked Questions

What is the IUPAC name of bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate?
The IUPAC name of bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate (CID 19075817) is bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate.
What is the SMILES notation for bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate?
The canonical SMILES for bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate is COc1ccc(COC(=O)C(O)(O)C(=O)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate?
The InChIKey is JTFORBKWSLFAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O8/c1-24-15-7-3-13(4-8-15)11-26-17(20)19(22,23)18(21)27-12-14-5-9-16(25-2)10-6-14/h3-10,22-23H,11-12H2,1-2H3.
What are the key properties of bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate?
bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate has a molecular weight of 376.36 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-methoxyphenyl)methyl] 2,2-dihydroxypropanedioate is sourced from PubChem (CID 19075817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).