2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid

C17H16O3 — CID 12570469

IUPAC2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O3/c1-16(2,15(18)19)17(20)13-9-5-3-7-11(13)12-8-4-6-10-14(12)17/h3-10,20H,1-2H3,(H,18,19)
InChIKeyJDDYUDOPAYXTCF-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.01
Rot. Bonds2

About 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid

2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid (PubChem CID 12570469) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid
PubChem CID12570469
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1(O)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O3/c1-16(2,15(18)19)17(20)13-9-5-3-7-11(13)12-8-4-6-10-14(12)17/h3-10,20H,1-2H3,(H,18,19)
InChIKeyJDDYUDOPAYXTCF-UHFFFAOYSA-N
XLogP3.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid (CID 12570469) is 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1(O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid?
The InChIKey is JDDYUDOPAYXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-16(2,15(18)19)17(20)13-9-5-3-7-11(13)12-8-4-6-10-14(12)17/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid?
2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-hydroxyfluoren-9-yl)-2-methylpropanoic acid is sourced from PubChem (CID 12570469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).