2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid

C13H16O4 — CID 105497580

IUPAC2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
SMILESCOc1ccc2c(c1)CCC2(CC(=O)O)OC
InChIInChI=1S/C13H16O4/c1-16-10-3-4-11-9(7-10)5-6-13(11,17-2)8-12(14)15/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyGWLKBCFSQIAKED-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.96
Rot. Bonds4

About 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid

2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid (PubChem CID 105497580) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
PubChem CID105497580
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
SMILESCOc1ccc2c(c1)CCC2(CC(=O)O)OC
InChIInChI=1S/C13H16O4/c1-16-10-3-4-11-9(7-10)5-6-13(11,17-2)8-12(14)15/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyGWLKBCFSQIAKED-UHFFFAOYSA-N
XLogP1.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
CID 83911976
2-(1-methoxy-6-methyl-2,3-dihydroinden-1-yl)acetic acid
CID 105475631
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
(2,6-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanol
CID 105479196
2-(2-chloro-1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 143390413
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
CID 23356760
8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
CID 168876558

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid?
The IUPAC name of 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid (CID 105497580) is 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid.
What is the SMILES notation for 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid?
The canonical SMILES for 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid is COc1ccc2c(c1)CCC2(CC(=O)O)OC.
What is the InChIKey of 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid?
The InChIKey is GWLKBCFSQIAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-10-3-4-11-9(7-10)5-6-13(11,17-2)8-12(14)15/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid?
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid is sourced from PubChem (CID 105497580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).