2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid

C23H20O6 — CID 155486622

IUPAC2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
SMILESCOc1ccc2cc(-c3oc4cc(OC)c(OC)cc4c3CC(=O)O)ccc2c1
InChIInChI=1S/C23H20O6/c1-26-16-7-6-13-8-15(5-4-14(13)9-16)23-18(11-22(24)25)17-10-20(27-2)21(28-3)12-19(17)29-23/h4-10,12H,11H2,1-3H3,(H,24,25)
InChIKeyTVZHYAJFLWFVMX-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.91
Rot. Bonds6

About 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid

2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid (PubChem CID 155486622) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
PubChem CID155486622
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Name2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid
SMILESCOc1ccc2cc(-c3oc4cc(OC)c(OC)cc4c3CC(=O)O)ccc2c1
InChIInChI=1S/C23H20O6/c1-26-16-7-6-13-8-15(5-4-14(13)9-16)23-18(11-22(24)25)17-10-20(27-2)21(28-3)12-19(17)29-23/h4-10,12H,11H2,1-3H3,(H,24,25)
InChIKeyTVZHYAJFLWFVMX-UHFFFAOYSA-N
XLogP4.91
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid 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

2-[2-(6-methoxynaphthalen-2-yl)-4-oxo-5H-furo[3,2-c]quinolin-3-yl]acetic acid
CID 146048783
2-[2-(4-methoxyphenyl)-5-(tetrazol-1-yl)-1-benzofuran-3-yl]acetic acid
CID 139029651
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
2-[7-(4-methoxyphenyl)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]furo[2,3-e][1]benzofuran-8-yl]acetic acid
CID 162938419
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716963
1-[2-(5-methoxy-2-phenyl-1-benzofuran-3-yl)ethyl]-3-methylurea
CID 10925379
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-(1,3-dihydroxy-6-methoxynaphthalen-2-yl)acetic acid
CID 91153958
2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetic acid
CID 7742761
N-(2,2-dimethoxyethyl)-2-[2-(6-methoxynaphthalen-2-yl)-6-methyl-4-oxofuro[3,2-c]pyran-3-yl]acetamide
CID 134716919
3-bromo-2-(3,4-dimethoxyphenyl)-6-methoxy-1-benzofuran
CID 89479658
2-[2-(4-hydroxy-3-methoxyphenyl)-6-methyl-4-oxo-5H-furo[3,2-c]pyridin-3-yl]acetic acid
CID 127252915

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid (CID 155486622) is 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid is COc1ccc2cc(-c3oc4cc(OC)c(OC)cc4c3CC(=O)O)ccc2c1.
What is the InChIKey of 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid?
The InChIKey is TVZHYAJFLWFVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-26-16-7-6-13-8-15(5-4-14(13)9-16)23-18(11-22(24)25)17-10-20(27-2)21(28-3)12-19(17)29-23/h4-10,12H,11H2,1-3H3,(H,24,25).
What are the key properties of 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid?
2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid has a molecular weight of 392.41 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethoxy-2-(6-methoxynaphthalen-2-yl)-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 155486622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).