2-(1-ethyl-9H-fluoren-2-yl)acetic acid

C17H16O2 — CID 158650084

IUPAC2-(1-ethyl-9H-fluoren-2-yl)acetic acid
SMILESCCc1c(CC(=O)O)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H16O2/c1-2-13-12(10-17(18)19)7-8-15-14-6-4-3-5-11(14)9-16(13)15/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyIBLDGHROOYXSSP-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.45
Rot. Bonds3

About 2-(1-ethyl-9H-fluoren-2-yl)acetic acid

2-(1-ethyl-9H-fluoren-2-yl)acetic acid (PubChem CID 158650084) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(1-ethyl-9H-fluoren-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-9H-fluoren-2-yl)acetic acid
PubChem CID158650084
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-(1-ethyl-9H-fluoren-2-yl)acetic acid
SMILESCCc1c(CC(=O)O)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H16O2/c1-2-13-12(10-17(18)19)7-8-15-14-6-4-3-5-11(14)9-16(13)15/h3-8H,2,9-10H2,1H3,(H,18,19)
InChIKeyIBLDGHROOYXSSP-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diethyl-9H-fluorene
CID 23440471
9H-fluorene;propanoic acid
CID 67831567
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
ethane;9H-fluorene;propanoic acid
CID 90836645
1-(1-ethyl-9H-fluoren-2-yl)-2-phenylhydrazine
CID 150745780
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1,2-dihexyl-9H-fluorene
CID 22141601
bis(1-ethyl-9H-fluorene);pyridine
CID 158763322
(2,3-diethyl-9H-fluoren-1-yl)boronic acid
CID 141433913
1-butyl-2-decyl-9H-fluorene
CID 151429799

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-9H-fluoren-2-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-9H-fluoren-2-yl)acetic acid (CID 158650084) is 2-(1-ethyl-9H-fluoren-2-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-9H-fluoren-2-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-9H-fluoren-2-yl)acetic acid is CCc1c(CC(=O)O)ccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-(1-ethyl-9H-fluoren-2-yl)acetic acid?
The InChIKey is IBLDGHROOYXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-2-13-12(10-17(18)19)7-8-15-14-6-4-3-5-11(14)9-16(13)15/h3-8H,2,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(1-ethyl-9H-fluoren-2-yl)acetic acid?
2-(1-ethyl-9H-fluoren-2-yl)acetic acid has a molecular weight of 252.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-9H-fluoren-2-yl)acetic acid is sourced from PubChem (CID 158650084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).