5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid

C18H16O4 — CID 150280262

IUPAC5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1(C(=O)O)CCc2cc(C(=O)c3ccccc3)c(O)cc21
InChIInChI=1S/C18H16O4/c1-18(17(21)22)8-7-12-9-13(15(19)10-14(12)18)16(20)11-5-3-2-4-6-11/h2-6,9-10,19H,7-8H2,1H3,(H,21,22)
InChIKeyGFKPWFKRBSKCEU-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.91
Rot. Bonds3

About 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid

5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 150280262) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid
PubChem CID150280262
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid
SMILESCC1(C(=O)O)CCc2cc(C(=O)c3ccccc3)c(O)cc21
InChIInChI=1S/C18H16O4/c1-18(17(21)22)8-7-12-9-13(15(19)10-14(12)18)16(20)11-5-3-2-4-6-11/h2-6,9-10,19H,7-8H2,1H3,(H,21,22)
InChIKeyGFKPWFKRBSKCEU-UHFFFAOYSA-N
XLogP2.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
6-bromo-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 18545988
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
(7R)-2,2-difluoro-7-methyl-5,6-dihydrocyclopenta[f][1,3]benzodioxole-7-carboxylic acid
CID 138596948
(4-hydroxy-3-bicyclo[4.2.0]octa-1,3,5,7-tetraenyl)-phenylmethanone
CID 70476179
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
1,6-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721907
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-phenylmethanone
CID 163828161
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid (CID 150280262) is 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid is CC1(C(=O)O)CCc2cc(C(=O)c3ccccc3)c(O)cc21.
What is the InChIKey of 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is GFKPWFKRBSKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-18(17(21)22)8-7-12-9-13(15(19)10-14(12)18)16(20)11-5-3-2-4-6-11/h2-6,9-10,19H,7-8H2,1H3,(H,21,22).
What are the key properties of 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid?
5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-6-hydroxy-1-methyl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 150280262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).