4-fluoranthen-8-yl-4-oxobutanoic acid

C20H14O3 — CID 10617

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IUPAC4-fluoranthen-8-yl-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)
InChIKeyQOBAOSCOLAGPKI-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.53
Rot. Bonds4

About 4-fluoranthen-8-yl-4-oxobutanoic acid

4-fluoranthen-8-yl-4-oxobutanoic acid (PubChem CID 10617) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-fluoranthen-8-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-fluoranthen-8-yl-4-oxobutanoic acid
PubChem CID10617
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name4-fluoranthen-8-yl-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc2c(c1)-c1cccc3cccc-2c13
InChIInChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)
InChIKeyQOBAOSCOLAGPKI-UHFFFAOYSA-N
XLogP4.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Anigorufone
CID 636472
4-(1-Naphthyl)-4-oxobutanoic acid
CID 277786
Benzo[b]fluoren-11-one
CID 18311
9-oxo-9H-fluorenecarboxylic acid
CID 74083
gamma-Oxo-1-pyrenebutyric acid
CID 82011
Ortho-(1-naphthoyl)benzoic acid
CID 78723
2-(2-Naphthalenyl)-1H-indene-1,3(2H)-dione
CID 200488
Trazeolide
CID 444705
1,2-Aceanthrylenedione
CID 316765
2-(1-Naphthalenyl)-1H-indene-1,3(2H)-dione
CID 120570
Benzo(a)fluorenone
CID 10184
(1,3-dioxo-2-phenyl-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 759372

Frequently Asked Questions

What is the IUPAC name of 4-fluoranthen-8-yl-4-oxobutanoic acid?
The IUPAC name of 4-fluoranthen-8-yl-4-oxobutanoic acid (CID 10617) is 4-fluoranthen-8-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-fluoranthen-8-yl-4-oxobutanoic acid?
The canonical SMILES for 4-fluoranthen-8-yl-4-oxobutanoic acid is O=C(O)CCC(=O)c1ccc2c(c1)-c1cccc3cccc-2c13.
What is the InChIKey of 4-fluoranthen-8-yl-4-oxobutanoic acid?
The InChIKey is QOBAOSCOLAGPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23).
What are the key properties of 4-fluoranthen-8-yl-4-oxobutanoic acid?
4-fluoranthen-8-yl-4-oxobutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoranthen-8-yl-4-oxobutanoic acid is sourced from PubChem (CID 10617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).