5-(9-oxofluoren-4-yl)pentanoic acid

C18H16O3 — CID 69332355

IUPAC5-(9-oxofluoren-4-yl)pentanoic acid
SMILESO=C(O)CCCCc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C18H16O3/c19-16(20)11-4-1-6-12-7-5-10-15-17(12)13-8-2-3-9-14(13)18(15)21/h2-3,5,7-10H,1,4,6,11H2,(H,19,20)
InChIKeyNTCMMSXBTGITLV-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.70
Rot. Bonds5

About 5-(9-oxofluoren-4-yl)pentanoic acid

5-(9-oxofluoren-4-yl)pentanoic acid (PubChem CID 69332355) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-(9-oxofluoren-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(9-oxofluoren-4-yl)pentanoic acid
PubChem CID69332355
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name5-(9-oxofluoren-4-yl)pentanoic acid
SMILESO=C(O)CCCCc1cccc2c1-c1ccccc1C2=O
InChIInChI=1S/C18H16O3/c19-16(20)11-4-1-6-12-7-5-10-15-17(12)13-8-2-3-9-14(13)18(15)21/h2-3,5,7-10H,1,4,6,11H2,(H,19,20)
InChIKeyNTCMMSXBTGITLV-UHFFFAOYSA-N
XLogP3.70
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-(9,10-dioxo-1-phenylmethoxyanthracen-2-yl)undecanoic acid
CID 11071107
1-decylanthracene-9,10-dione
CID 139845419
1-dodecylanthracene-9,10-dione
CID 67664417
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
2-(9-oxofluoren-1-yl)acetic acid
CID 12692062
[2-(4-carboxybutyl)phenyl]-diphenylsulfanium
CID 151513729
5-(2-ethenylphenyl)pentanoic acid
CID 91512730

Frequently Asked Questions

What is the IUPAC name of 5-(9-oxofluoren-4-yl)pentanoic acid?
The IUPAC name of 5-(9-oxofluoren-4-yl)pentanoic acid (CID 69332355) is 5-(9-oxofluoren-4-yl)pentanoic acid.
What is the SMILES notation for 5-(9-oxofluoren-4-yl)pentanoic acid?
The canonical SMILES for 5-(9-oxofluoren-4-yl)pentanoic acid is O=C(O)CCCCc1cccc2c1-c1ccccc1C2=O.
What is the InChIKey of 5-(9-oxofluoren-4-yl)pentanoic acid?
The InChIKey is NTCMMSXBTGITLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-16(20)11-4-1-6-12-7-5-10-15-17(12)13-8-2-3-9-14(13)18(15)21/h2-3,5,7-10H,1,4,6,11H2,(H,19,20).
What are the key properties of 5-(9-oxofluoren-4-yl)pentanoic acid?
5-(9-oxofluoren-4-yl)pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-oxofluoren-4-yl)pentanoic acid is sourced from PubChem (CID 69332355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).