5-phenylnonanedioic acid

C15H20O4 — CID 54103206

IUPAC5-phenylnonanedioic acid
SMILESO=C(O)CCCC(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H20O4/c16-14(17)10-4-8-13(9-5-11-15(18)19)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)(H,18,19)
InChIKeyNBYOUTITEXEZTA-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.28
Rot. Bonds9

About 5-phenylnonanedioic acid

5-phenylnonanedioic acid (PubChem CID 54103206) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-phenylnonanedioic acid.

Molecular Properties

Compound Name5-phenylnonanedioic acid
PubChem CID54103206
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-phenylnonanedioic acid
SMILESO=C(O)CCCC(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H20O4/c16-14(17)10-4-8-13(9-5-11-15(18)19)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)(H,18,19)
InChIKeyNBYOUTITEXEZTA-UHFFFAOYSA-N
XLogP3.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

11-phenyloctadecanoic acid
CID 101320092
6-phenyloctadecanoic acid
CID 56981512
4-phenyldodecanoic acid
CID 67722235
5-bromo-5-phenylpentanoic acid
CID 174858341
6-fluoro-6-phenylhexanoic acid
CID 70054294
6-hydrazinyl-6-oxo-5-phenylhexanoic acid
CID 67909568
2-phenyloctadecanedioic acid
CID 23016344
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
(3S)-7-amino-3-phenylheptanoic acid
CID 70002010
8-(4-hydroxyphenyl)octadecanoic acid
CID 101311385
6-phenyloct-7-enoic acid
CID 118941596
5-hydroxy-6-oxo-6-phenylhexanoic acid
CID 151820030

Frequently Asked Questions

What is the IUPAC name of 5-phenylnonanedioic acid?
The IUPAC name of 5-phenylnonanedioic acid (CID 54103206) is 5-phenylnonanedioic acid.
What is the SMILES notation for 5-phenylnonanedioic acid?
The canonical SMILES for 5-phenylnonanedioic acid is O=C(O)CCCC(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-phenylnonanedioic acid?
The InChIKey is NBYOUTITEXEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c16-14(17)10-4-8-13(9-5-11-15(18)19)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)(H,18,19).
What are the key properties of 5-phenylnonanedioic acid?
5-phenylnonanedioic acid has a molecular weight of 264.32 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylnonanedioic acid is sourced from PubChem (CID 54103206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).