5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid

C21H18O4 — CID 10336968

IUPAC5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccc(C3CCc4ccccc43)cc2)o1
InChIInChI=1S/C21H18O4/c22-21(23)20-12-10-17(25-20)13-24-16-8-5-15(6-9-16)19-11-7-14-3-1-2-4-18(14)19/h1-6,8-10,12,19H,7,11,13H2,(H,22,23)
InChIKeyVJWARVUCABJNTQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.63
Rot. Bonds5

About 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid

5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 10336968) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
PubChem CID10336968
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2ccc(C3CCc4ccccc43)cc2)o1
InChIInChI=1S/C21H18O4/c22-21(23)20-12-10-17(25-20)13-24-16-8-5-15(6-9-16)19-11-7-14-3-1-2-4-18(14)19/h1-6,8-10,12,19H,7,11,13H2,(H,22,23)
InChIKeyVJWARVUCABJNTQ-UHFFFAOYSA-N
XLogP4.63
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[4-(2-aminophenyl)phenoxy]methyl]furan-2-carboxylic acid
CID 142980114
benzyl 4-[(1R)-2,3-dihydro-1H-inden-1-yl]benzoate
CID 102289871
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
2,3-dihydroindol-1-yl-[5-(phenoxymethyl)furan-2-yl]methanone
CID 17409583
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
5-[[4-(2-cyclohexylpropan-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10382765
5-[[4-[[4-(dimethylamino)piperidin-1-yl]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 74237158
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 43806772
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid
CID 43516994
phenyl-[1-phenyl-7-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 71955687
N-benzyl-5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]furan-2-carboxamide
CID 93336076

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid (CID 10336968) is 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(COc2ccc(C3CCc4ccccc43)cc2)o1.
What is the InChIKey of 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is VJWARVUCABJNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c22-21(23)20-12-10-17(25-20)13-24-16-8-5-15(6-9-16)19-11-7-14-3-1-2-4-18(14)19/h1-6,8-10,12,19H,7,11,13H2,(H,22,23).
What are the key properties of 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid?
5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 10336968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).