2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid

C14H16O5 — CID 82160061

IUPAC2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
SMILESCOc1cc(OC)c2c(c1)C(=O)CC2(C)CC(=O)O
InChIInChI=1S/C14H16O5/c1-14(7-12(16)17)6-10(15)9-4-8(18-2)5-11(19-3)13(9)14/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyCCYTYTDXDMBGLR-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.02
Rot. Bonds4

About 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid

2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid (PubChem CID 82160061) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
PubChem CID82160061
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
SMILESCOc1cc(OC)c2c(c1)C(=O)CC2(C)CC(=O)O
InChIInChI=1S/C14H16O5/c1-14(7-12(16)17)6-10(15)9-4-8(18-2)5-11(19-3)13(9)14/h4-5H,6-7H2,1-3H3,(H,16,17)
InChIKeyCCYTYTDXDMBGLR-UHFFFAOYSA-N
XLogP2.02
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-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-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
CID 82158605
2-(4,7-dimethoxy-1-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 82159660
2-(7,8-dimethoxy-2-methyl-4-oxo-3H-chromen-2-yl)acetic acid
CID 75357275
2-(1-methyl-3-oxo-5-propan-2-yl-2H-inden-1-yl)acetic acid
CID 82159460
[3-(2,4,6-trimethoxyphenyl)oxetan-3-yl]methanol
CID 116829748
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
(3R)-3-prop-2-enyl-3-(2,4,6-trimethoxyphenyl)oxolan-2-one
CID 134958496
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
CID 23356760
(1R)-2-benzyl-1-hydroxy-5,7-dimethoxy-N,N-dimethyl-3-oxoisoindole-1-carboxamide
CID 94044340
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
The IUPAC name of 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid (CID 82160061) is 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
The canonical SMILES for 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid is COc1cc(OC)c2c(c1)C(=O)CC2(C)CC(=O)O.
What is the InChIKey of 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
The InChIKey is CCYTYTDXDMBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-14(7-12(16)17)6-10(15)9-4-8(18-2)5-11(19-3)13(9)14/h4-5H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid?
2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid has a molecular weight of 264.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-1-methyl-3-oxo-2H-inden-1-yl)acetic acid is sourced from PubChem (CID 82160061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).