bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate

C18H18O8 — CID 89106310

IUPACbis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESCOc1ccc(OC(=O)[C@H](O)[C@@H](O)C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O8/c1-23-11-3-7-13(8-4-11)25-17(21)15(19)16(20)18(22)26-14-9-5-12(24-2)6-10-14/h3-10,15-16,19-20H,1-2H3/t15-,16-/m1/s1
InChIKeyUGCBRAGPUQCKPZ-HZPDHXFCSA-N
MW362.33 g/mol
LogP0.94
Rot. Bonds7

About bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate

bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 89106310) has the molecular formula C18H18O8 and a molecular weight of 362.33 g/mol. Its IUPAC name is bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID89106310
Molecular FormulaC18H18O8
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Namebis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESCOc1ccc(OC(=O)[C@H](O)[C@@H](O)C(=O)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18O8/c1-23-11-3-7-13(8-4-11)25-17(21)15(19)16(20)18(22)26-14-9-5-12(24-2)6-10-14/h3-10,15-16,19-20H,1-2H3/t15-,16-/m1/s1
InChIKeyUGCBRAGPUQCKPZ-HZPDHXFCSA-N
XLogP0.94
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) hydrogen carbonate
CID 19016633
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
(4-methoxyphenyl) (2S)-2-amino-3-methyl-3-sulfanylbutanoate
CID 54071151
bis(4-chlorophenyl) 2-(4-methoxyphenyl)propanedioate
CID 142461311
[4-[4-(4-methoxyphenyl)phenyl]phenyl] 2-methylbutanoate
CID 22974655
[4-(4-methoxyphenyl)phenyl] 2-bromo-3-methylbutanoate
CID 54049313
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
[4-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxyphenyl] (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 67241631
(4-methoxyphenyl) 2-methylhexanoate
CID 174280566
bis(4-methoxyphenyl) propanedioate
CID 12000137
(4-methoxyphenyl) 2-oxoacetate
CID 165359062
phenyl 2-hydroxy-3-methylbutanoate
CID 21199267

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate (CID 89106310) is bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate is COc1ccc(OC(=O)[C@H](O)[C@@H](O)C(=O)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is UGCBRAGPUQCKPZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H18O8/c1-23-11-3-7-13(8-4-11)25-17(21)15(19)16(20)18(22)26-14-9-5-12(24-2)6-10-14/h3-10,15-16,19-20H,1-2H3/t15-,16-/m1/s1.
What are the key properties of bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate?
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 362.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 89106310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).