9H-fluorene;propanoic acid

C19H22O4 — CID 67831567

IUPAC9H-fluorene;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.2C3H6O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-3(4)5/h1-8H,9H2;2*2H2,1H3,(H,4,5)
InChIKeyPRGKTGIZIJYQNJ-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.22
Rot. Bonds2

About 9H-fluorene;propanoic acid

9H-fluorene;propanoic acid (PubChem CID 67831567) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 9H-fluorene;propanoic acid.

Molecular Properties

Compound Name9H-fluorene;propanoic acid
PubChem CID67831567
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name9H-fluorene;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.2C3H6O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-3(4)5/h1-8H,9H2;2*2H2,1H3,(H,4,5)
InChIKeyPRGKTGIZIJYQNJ-UHFFFAOYSA-N
XLogP4.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;9H-fluorene;propanoic acid
CID 90836645
acetic acid;azane;9H-fluorene
CID 174966259
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
ethanamine;9H-fluorene
CID 158316259
bis(9H-fluorene);pentane
CID 159146463
9H-fluorene;methyl acetate
CID 143080534
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
bis(9H-fluorene);methane;pentane
CID 158815702
9H-fluorene;methanesulfonic acid
CID 172770963

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;propanoic acid?
The IUPAC name of 9H-fluorene;propanoic acid (CID 67831567) is 9H-fluorene;propanoic acid.
What is the SMILES notation for 9H-fluorene;propanoic acid?
The canonical SMILES for 9H-fluorene;propanoic acid is CCC(=O)O.CCC(=O)O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;propanoic acid?
The InChIKey is PRGKTGIZIJYQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.2C3H6O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-3(4)5/h1-8H,9H2;2*2H2,1H3,(H,4,5).
What are the key properties of 9H-fluorene;propanoic acid?
9H-fluorene;propanoic acid has a molecular weight of 314.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;propanoic acid is sourced from PubChem (CID 67831567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).