9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid

C18H16O4 — CID 82579038

IUPAC9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
SMILESCc1ccc2c(c1C)-c1ccc(C(=O)O)cc1C2CC(=O)O
InChIInChI=1S/C18H16O4/c1-9-3-5-12-15(8-16(19)20)14-7-11(18(21)22)4-6-13(14)17(12)10(9)2/h3-7,15H,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDKYQLRHXUNFOCA-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.59
Rot. Bonds3

About 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid

9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid (PubChem CID 82579038) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
PubChem CID82579038
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
SMILESCc1ccc2c(c1C)-c1ccc(C(=O)O)cc1C2CC(=O)O
InChIInChI=1S/C18H16O4/c1-9-3-5-12-15(8-16(19)20)14-7-11(18(21)22)4-6-13(14)17(12)10(9)2/h3-7,15H,8H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyDKYQLRHXUNFOCA-UHFFFAOYSA-N
XLogP3.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5,6-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82579030
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
9-amino-5-methyl-9H-fluorene-2-carboxylic acid
CID 82578547
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
9-hydroxy-4-methyl-9H-fluorene-2-carboxylic acid
CID 138711693
4-(2,6-difluoro-3-methylphenyl)-3-fluorobenzoic acid
CID 82822983
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
ethane;4-ethyl-3-methylbenzoic acid
CID 144686494
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
3-methyl-4-(2,2,2-trifluoroethyl)benzoic acid
CID 91883693

Frequently Asked Questions

What is the IUPAC name of 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid?
The IUPAC name of 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid (CID 82579038) is 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid is Cc1ccc2c(c1C)-c1ccc(C(=O)O)cc1C2CC(=O)O.
What is the InChIKey of 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid?
The InChIKey is DKYQLRHXUNFOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-9-3-5-12-15(8-16(19)20)14-7-11(18(21)22)4-6-13(14)17(12)10(9)2/h3-7,15H,8H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid?
9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid has a molecular weight of 296.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 82579038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).