2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid

C17H16O3 — CID 82578973

IUPAC2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid
SMILESCCc1ccc2c(c1)C(CC(=O)O)c1cc(O)ccc1-2
InChIInChI=1S/C17H16O3/c1-2-10-3-5-12-13-6-4-11(18)8-15(13)16(9-17(19)20)14(12)7-10/h3-8,16,18H,2,9H2,1H3,(H,19,20)
InChIKeyRWVCJNUBKODRPM-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.54
Rot. Bonds3

About 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid

2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid (PubChem CID 82578973) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid
PubChem CID82578973
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid
SMILESCCc1ccc2c(c1)C(CC(=O)O)c1cc(O)ccc1-2
InChIInChI=1S/C17H16O3/c1-2-10-3-5-12-13-6-4-11(18)8-15(13)16(9-17(19)20)14(12)7-10/h3-8,16,18H,2,9H2,1H3,(H,19,20)
InChIKeyRWVCJNUBKODRPM-UHFFFAOYSA-N
XLogP3.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid (CID 82578973) is 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid is CCc1ccc2c(c1)C(CC(=O)O)c1cc(O)ccc1-2.
What is the InChIKey of 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid?
The InChIKey is RWVCJNUBKODRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-2-10-3-5-12-13-6-4-11(18)8-15(13)16(9-17(19)20)14(12)7-10/h3-8,16,18H,2,9H2,1H3,(H,19,20).
What are the key properties of 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid?
2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid has a molecular weight of 268.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid is sourced from PubChem (CID 82578973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).