dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate

C24H22O8 — CID 139783928

IUPACdimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(OCc2cccc(O)c2)c(OCc2cccc(O)c2)c1C(=O)OC
InChIInChI=1S/C24H22O8/c1-29-23(27)19-9-10-20(31-13-15-5-3-7-17(25)11-15)22(21(19)24(28)30-2)32-14-16-6-4-8-18(26)12-16/h3-12,25-26H,13-14H2,1-2H3
InChIKeyBEBWIVMGJISBNZ-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.83
Rot. Bonds8

About dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate

dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate (PubChem CID 139783928) has the molecular formula C24H22O8 and a molecular weight of 438.43 g/mol. Its IUPAC name is dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate
PubChem CID139783928
Molecular FormulaC24H22O8
Molecular Weight438.43 g/mol
Exact Mass438.13
IUPAC Namedimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccc(OCc2cccc(O)c2)c(OCc2cccc(O)c2)c1C(=O)OC
InChIInChI=1S/C24H22O8/c1-29-23(27)19-9-10-20(31-13-15-5-3-7-17(25)11-15)22(21(19)24(28)30-2)32-14-16-6-4-8-18(26)12-16/h3-12,25-26H,13-14H2,1-2H3
InChIKeyBEBWIVMGJISBNZ-UHFFFAOYSA-N
XLogP3.83
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 4-phenylmethoxy-3-(5-phenylpentoxy)benzene-1,2-dicarboxylate
CID 139783989
methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
dimethyl 3-[(3-bromophenyl)methoxy]benzene-1,2-dicarboxylate
CID 66906596
dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
CID 67945020
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
methyl 4-phenylmethoxy-1-benzofuran-7-carboxylate
CID 142441350
methyl 2,3-bis[[3,5-bis(methylsulfanyl)phenyl]methoxy]benzoate
CID 141030342
methyl 2-[(3-methoxyphenyl)methoxy]-5-methylbenzoate
CID 112828222
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
3,4-bis[(3-phenoxyphenyl)methoxy]phthalic acid
CID 139784070
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate (CID 139783928) is dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate is COC(=O)c1ccc(OCc2cccc(O)c2)c(OCc2cccc(O)c2)c1C(=O)OC.
What is the InChIKey of dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate?
The InChIKey is BEBWIVMGJISBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O8/c1-29-23(27)19-9-10-20(31-13-15-5-3-7-17(25)11-15)22(21(19)24(28)30-2)32-14-16-6-4-8-18(26)12-16/h3-12,25-26H,13-14H2,1-2H3.
What are the key properties of dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate?
dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate has a molecular weight of 438.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 139783928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).