dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate

C23H22O8 — CID 67945020

IUPACdimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(OC)c(OC)c(OCc3ccccc3)c(C(=O)OC)c2c1O
InChIInChI=1S/C23H22O8/c1-27-19-14-10-11-15(22(25)29-3)18(24)16(14)17(23(26)30-4)20(21(19)28-2)31-12-13-8-6-5-7-9-13/h5-11,24H,12H2,1-4H3
InChIKeyOVPZRDDNSSWNBY-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.71
Rot. Bonds7

About dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate

dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate (PubChem CID 67945020) has the molecular formula C23H22O8 and a molecular weight of 426.42 g/mol. Its IUPAC name is dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
PubChem CID67945020
Molecular FormulaC23H22O8
Molecular Weight426.42 g/mol
Exact Mass426.13
IUPAC Namedimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(OC)c(OC)c(OCc3ccccc3)c(C(=O)OC)c2c1O
InChIInChI=1S/C23H22O8/c1-27-19-14-10-11-15(22(25)29-3)18(24)16(14)17(23(26)30-4)20(21(19)28-2)31-12-13-8-6-5-7-9-13/h5-11,24H,12H2,1-4H3
InChIKeyOVPZRDDNSSWNBY-UHFFFAOYSA-N
XLogP3.71
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-acetyl-2-methoxy-3-phenylmethoxybenzoate
CID 91864043
methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate
CID 166479578
dimethyl 3,4-bis[(3-hydroxyphenyl)methoxy]benzene-1,2-dicarboxylate
CID 139783928
methyl 8-bromo-4-hydroxy-3,7-dimethoxy-5-phenylmethoxynaphthalene-2-carboxylate
CID 14815298
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 1-phenylmethoxybenzo[g]phenanthrene-4-carboxylate
CID 11090467
methyl 2-bromo-4,5-dimethoxy-3-phenylmethoxybenzoate
CID 164681646
methyl 2-methoxy-8-phenylmethoxyquinoline-5-carboxylate
CID 67364544
dimethyl 4-phenylmethoxy-3-(5-phenylpentoxy)benzene-1,2-dicarboxylate
CID 139783989
methyl 3-(2-oxopropyl)-2-phenylmethoxybenzoate
CID 13255232
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673

Frequently Asked Questions

What is the IUPAC name of dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate?
The IUPAC name of dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate (CID 67945020) is dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate.
What is the SMILES notation for dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate?
The canonical SMILES for dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate is COC(=O)c1ccc2c(OC)c(OC)c(OCc3ccccc3)c(C(=O)OC)c2c1O.
What is the InChIKey of dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate?
The InChIKey is OVPZRDDNSSWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O8/c1-27-19-14-10-11-15(22(25)29-3)18(24)16(14)17(23(26)30-4)20(21(19)28-2)31-12-13-8-6-5-7-9-13/h5-11,24H,12H2,1-4H3.
What are the key properties of dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate?
dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate has a molecular weight of 426.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 8-hydroxy-3,4-dimethoxy-2-phenylmethoxynaphthalene-1,7-dicarboxylate is sourced from PubChem (CID 67945020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).