methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate

C30H27ClO9 — CID 15337358

IUPACmethyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1c(C(=O)c2cccc(Cl)c2)c(O)c2cc(OC)c(OC)c(OC)c2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C30H27ClO9/c1-35-19-11-10-15(13-20(19)36-2)22-23-18(14-21(37-3)28(38-4)29(23)39-5)27(33)25(24(22)30(34)40-6)26(32)16-8-7-9-17(31)12-16/h7-14,33H,1-6H3
InChIKeyOUSWFPUVAAZANY-UHFFFAOYSA-N
MW566.99 g/mol
LogP5.93
Rot. Bonds9

About methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate

methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate (PubChem CID 15337358) has the molecular formula C30H27ClO9 and a molecular weight of 566.99 g/mol. Its IUPAC name is methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
PubChem CID15337358
Molecular FormulaC30H27ClO9
Molecular Weight566.99 g/mol
Exact Mass566.13
IUPAC Namemethyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1c(C(=O)c2cccc(Cl)c2)c(O)c2cc(OC)c(OC)c(OC)c2c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C30H27ClO9/c1-35-19-11-10-15(13-20(19)36-2)22-23-18(14-21(37-3)28(38-4)29(23)39-5)27(33)25(24(22)30(34)40-6)26(32)16-8-7-9-17(31)12-16/h7-14,33H,1-6H3
InChIKeyOUSWFPUVAAZANY-UHFFFAOYSA-N
XLogP5.93
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.99
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-acetyl-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 19688639
2-O-ethyl 3-O-methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
CID 10368697
methyl 1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxy-3-(2-methylpropanoyl)naphthalene-2-carboxylate
CID 19688665
10-(3,4-dimethoxyphenyl)-9-hydroxy-5,6,7-trimethoxy-3,4-dihydro-2H-anthracen-1-one
CID 19688731
methyl 1-(3,4-dimethoxyphenyl)-3-(3-ethylpentanoyl)-4-hydroxy-6-methoxy-8-methylnaphthalene-2-carboxylate
CID 155067249
(3-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459023
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
dimethyl 5-hydroxy-8-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylate
CID 13418739
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
(3,4,5-trimethoxyphenyl)methyl 3-chlorobenzoate
CID 18150581
[3-[3-(3-chlorobenzoyl)-2-methoxyphenyl]-2-methoxyphenyl]-(3-chlorophenyl)methanone
CID 102013038
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate (CID 15337358) is methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate is COC(=O)c1c(C(=O)c2cccc(Cl)c2)c(O)c2cc(OC)c(OC)c(OC)c2c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
The InChIKey is OUSWFPUVAAZANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClO9/c1-35-19-11-10-15(13-20(19)36-2)22-23-18(14-21(37-3)28(38-4)29(23)39-5)27(33)25(24(22)30(34)40-6)26(32)16-8-7-9-17(31)12-16/h7-14,33H,1-6H3.
What are the key properties of methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate has a molecular weight of 566.99 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 15337358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).