methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate

C24H24O8 — CID 18369996

IUPACmethyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)=O)c2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24O8/c1-13(25)32-19-12-17(24(26)31-6)23(14-7-8-18(27-2)20(9-14)28-3)16-11-22(30-5)21(29-4)10-15(16)19/h7-12H,1-6H3
InChIKeyAURGJEKCAKVHMK-UHFFFAOYSA-N
MW440.45 g/mol
LogP4.25
Rot. Bonds7

About methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate

methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate (PubChem CID 18369996) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
PubChem CID18369996
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Namemethyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)=O)c2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H24O8/c1-13(25)32-19-12-17(24(26)31-6)23(14-7-8-18(27-2)20(9-14)28-3)16-11-22(30-5)21(29-4)10-15(16)19/h7-12H,1-6H3
InChIKeyAURGJEKCAKVHMK-UHFFFAOYSA-N
XLogP4.25
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 3679336
methyl 4-acetyloxy-1-(4-tert-butylphenyl)-6,7-dimethoxynaphthalene-2-carboxylate
CID 67615814
methyl 4-acetyloxy-6-methyl-1-(4-methylphenyl)naphthalene-2-carboxylate
CID 18541965
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
methyl 1-(4-tert-butylphenyl)-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
CID 67615700
methyl 3-acetyl-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 19688639
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
methyl 1-acetyloxy-4-(4-acetyloxy-2-hydroxy-6,7-dimethoxy-3-methoxycarbonylnaphthalen-1-yl)-3-hydroxy-6,7-dimethoxynaphthalene-2-carboxylate
CID 101251724
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate (CID 18369996) is methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate is COC(=O)c1cc(OC(C)=O)c2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate?
The InChIKey is AURGJEKCAKVHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O8/c1-13(25)32-19-12-17(24(26)31-6)23(14-7-8-18(27-2)20(9-14)28-3)16-11-22(30-5)21(29-4)10-15(16)19/h7-12H,1-6H3.
What are the key properties of methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate?
methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate has a molecular weight of 440.45 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyloxy-1-(3,4-dimethoxyphenyl)-6,7-dimethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 18369996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).