dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate

C23H24O8 — CID 101093466

IUPACdimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(OC)(OC)OC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24O8/c1-26-21(24)18-19(22(25)27-2)23(28-3,29-4)31-20(18)16-10-12-17(13-11-16)30-14-15-8-6-5-7-9-15/h5-13,20H,14H2,1-4H3
InChIKeyYILUSAIJGFEIKF-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.93
Rot. Bonds8

About dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate

dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate (PubChem CID 101093466) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate
PubChem CID101093466
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Namedimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(OC)(OC)OC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H24O8/c1-26-21(24)18-19(22(25)27-2)23(28-3,29-4)31-20(18)16-10-12-17(13-11-16)30-14-15-8-6-5-7-9-15/h5-13,20H,14H2,1-4H3
InChIKeyYILUSAIJGFEIKF-UHFFFAOYSA-N
XLogP2.93
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450
2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11808654
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 2-oxo-4-(4-phenylmethoxyphenyl)-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844421
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl (5S)-7-methyl-2,4-dioxo-5-(4-phenylmethoxyphenyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 1189318
methyl 3-[2-(4-phenylmethoxyphenyl)ethyl]benzoate
CID 175245532
methyl 6-butyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844427
dimethyl 1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4591437
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
methyl 3-methyl-3-(4-phenylmethoxyphenyl)-2-propan-2-yloxirane-2-carboxylate
CID 113247475
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390

Frequently Asked Questions

What is the IUPAC name of dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate (CID 101093466) is dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(OC)(OC)OC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate?
The InChIKey is YILUSAIJGFEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-26-21(24)18-19(22(25)27-2)23(28-3,29-4)31-20(18)16-10-12-17(13-11-16)30-14-15-8-6-5-7-9-15/h5-13,20H,14H2,1-4H3.
What are the key properties of dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate?
dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate has a molecular weight of 428.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5,5-dimethoxy-2-(4-phenylmethoxyphenyl)-2H-furan-3,4-dicarboxylate is sourced from PubChem (CID 101093466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).