5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid

C19H16O4 — CID 163379701

IUPAC5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc(OC3CCc4ccccc43)cc2c1C(=O)O
InChIInChI=1S/C19H16O4/c1-11-18(19(20)21)15-10-13(7-9-17(15)22-11)23-16-8-6-12-4-2-3-5-14(12)16/h2-5,7,9-10,16H,6,8H2,1H3,(H,20,21)
InChIKeyUBPGOPAXKPGHKO-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.51
Rot. Bonds3

About 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid

5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 163379701) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid
PubChem CID163379701
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid
SMILESCc1oc2ccc(OC3CCc4ccccc43)cc2c1C(=O)O
InChIInChI=1S/C19H16O4/c1-11-18(19(20)21)15-10-13(7-9-17(15)22-11)23-16-8-6-12-4-2-3-5-14(12)16/h2-5,7,9-10,16H,6,8H2,1H3,(H,20,21)
InChIKeyUBPGOPAXKPGHKO-UHFFFAOYSA-N
XLogP4.51
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
N-cyclopropylsulfonyl-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379602
N-(1-ethylpiperidin-4-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379581
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380318
3-[6-(2,3-dihydro-1H-inden-1-yloxy)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid
CID 77403981
sodium;2-[5-(2,3-dihydro-1H-inden-1-yloxy)spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetic acid;ethyl 2-[5-(2,3-dihydro-1H-inden-1-yloxy)spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]acetate;hydroxide
CID 161271650
1-(2-methylphenoxy)-2,3-dihydro-1H-indene
CID 57123599
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methyl-5-phenylmethoxy-1-benzofuran-3-yl)methanone
CID 163379260
N-[4-(2,3-dihydro-1H-inden-1-yloxy)phenyl]formamide
CID 168653166
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380571
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid (CID 163379701) is 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid is Cc1oc2ccc(OC3CCc4ccccc43)cc2c1C(=O)O.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
The InChIKey is UBPGOPAXKPGHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-11-18(19(20)21)15-10-13(7-9-17(15)22-11)23-16-8-6-12-4-2-3-5-14(12)16/h2-5,7,9-10,16H,6,8H2,1H3,(H,20,21).
What are the key properties of 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid?
5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 308.33 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-1-yloxy)-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163379701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).