2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid

C19H20O2 — CID 82578898

IUPAC2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
SMILESCC(C)(C)c1ccc2c(c1)C(CC(=O)O)c1ccccc1-2
InChIInChI=1S/C19H20O2/c1-19(2,3)12-8-9-15-13-6-4-5-7-14(13)17(11-18(20)21)16(15)10-12/h4-10,17H,11H2,1-3H3,(H,20,21)
InChIKeyVBULUKNQTUOTHK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.57
Rot. Bonds2

About 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid

2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid (PubChem CID 82578898) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
PubChem CID82578898
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
SMILESCC(C)(C)c1ccc2c(c1)C(CC(=O)O)c1ccccc1-2
InChIInChI=1S/C19H20O2/c1-19(2,3)12-8-9-15-13-6-4-5-7-14(13)17(11-18(20)21)16(15)10-12/h4-10,17H,11H2,1-3H3,(H,20,21)
InChIKeyVBULUKNQTUOTHK-UHFFFAOYSA-N
XLogP4.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid
CID 82578973
(2,7-ditert-butyl-9H-fluoren-9-yl)methyl 2-pyridin-2-ylacetate
CID 159795162
2-(9H-xanthen-9-yl)acetic acid
CID 834662
2-(2-methyl-1H-inden-1-yl)acetic acid
CID 150876820
2-(4,5-dimethyl-9H-fluoren-9-yl)acetic acid
CID 82578908
[2-(2,7-ditert-butyl-9H-fluoren-9-yl)phenyl]-imino-dimethyl-λ5-phosphane
CID 178003983
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252
(Z)-4-(butylamino)-4-oxobut-2-enoic acid;2-(9H-fluoren-9-yl)acetic acid
CID 70196036
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 164681170
N-[9-(aminomethyl)-9H-fluoren-2-yl]-2,2-dimethylpropanamide
CID 167170615
9-(carboxymethyl)-5,6-dimethyl-9H-fluorene-2-carboxylic acid
CID 82579038
3-[(4-tert-butylphenyl)methyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 165479101

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid (CID 82578898) is 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid is CC(C)(C)c1ccc2c(c1)C(CC(=O)O)c1ccccc1-2.
What is the InChIKey of 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid?
The InChIKey is VBULUKNQTUOTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-19(2,3)12-8-9-15-13-6-4-5-7-14(13)17(11-18(20)21)16(15)10-12/h4-10,17H,11H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid?
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid has a molecular weight of 280.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid is sourced from PubChem (CID 82578898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).