3-(4-methyl-9H-fluoren-9-yl)propanoic acid

C17H16O2 — CID 15045078

IUPAC3-(4-methyl-9H-fluoren-9-yl)propanoic acid
SMILESCc1cccc2c1-c1ccccc1C2CCC(=O)O
InChIInChI=1S/C17H16O2/c1-11-5-4-8-15-13(9-10-16(18)19)12-6-2-3-7-14(12)17(11)15/h2-8,13H,9-10H2,1H3,(H,18,19)
InChIKeyBKCZZTBNVHTNMX-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.97
Rot. Bonds3

About 3-(4-methyl-9H-fluoren-9-yl)propanoic acid

3-(4-methyl-9H-fluoren-9-yl)propanoic acid (PubChem CID 15045078) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(4-methyl-9H-fluoren-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-9H-fluoren-9-yl)propanoic acid
PubChem CID15045078
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name3-(4-methyl-9H-fluoren-9-yl)propanoic acid
SMILESCc1cccc2c1-c1ccccc1C2CCC(=O)O
InChIInChI=1S/C17H16O2/c1-11-5-4-8-15-13(9-10-16(18)19)12-6-2-3-7-14(12)17(11)15/h2-8,13H,9-10H2,1H3,(H,18,19)
InChIKeyBKCZZTBNVHTNMX-UHFFFAOYSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-9H-fluoren-9-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-9H-fluoren-9-yl)propanoic acid (CID 15045078) is 3-(4-methyl-9H-fluoren-9-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-9H-fluoren-9-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-9H-fluoren-9-yl)propanoic acid is Cc1cccc2c1-c1ccccc1C2CCC(=O)O.
What is the InChIKey of 3-(4-methyl-9H-fluoren-9-yl)propanoic acid?
The InChIKey is BKCZZTBNVHTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-5-4-8-15-13(9-10-16(18)19)12-6-2-3-7-14(12)17(11)15/h2-8,13H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(4-methyl-9H-fluoren-9-yl)propanoic acid?
3-(4-methyl-9H-fluoren-9-yl)propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-9H-fluoren-9-yl)propanoic acid is sourced from PubChem (CID 15045078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).