7-phenylmethoxycarbonylnonanoic acid

C17H24O4 — CID 154313414

IUPAC7-phenylmethoxycarbonylnonanoic acid
SMILESCCC(CCCCCC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-2-15(11-7-4-8-12-16(18)19)17(20)21-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,18,19)
InChIKeyALHZBDXZLIRSPT-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.79
Rot. Bonds10

About 7-phenylmethoxycarbonylnonanoic acid

7-phenylmethoxycarbonylnonanoic acid (PubChem CID 154313414) has the molecular formula C17H24O4 and a molecular weight of 292.37 g/mol. Its IUPAC name is 7-phenylmethoxycarbonylnonanoic acid.

Molecular Properties

Compound Name7-phenylmethoxycarbonylnonanoic acid
PubChem CID154313414
Molecular FormulaC17H24O4
Molecular Weight292.37 g/mol
Exact Mass292.17
IUPAC Name7-phenylmethoxycarbonylnonanoic acid
SMILESCCC(CCCCCC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C17H24O4/c1-2-15(11-7-4-8-12-16(18)19)17(20)21-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,18,19)
InChIKeyALHZBDXZLIRSPT-UHFFFAOYSA-N
XLogP3.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-benzyl 8-O-tert-butyl 2-ethyloctanedioate
CID 175166959
benzyl 2-ethylhexanoate;hydrochloride
CID 141200166
benzyl 2-ethylnon-7-enoate
CID 151050476
benzyl 2-decyldodecanoate
CID 129279401
4-phenylmethoxycarbonyloctanoic acid
CID 68803226
benzyl 2-propyldecanoate
CID 175305414
8-benzyl-9-[(2-benzyl-8-carboxyoctanoyl)oxymethoxy]-9-oxononanoic acid
CID 68807133
benzyl 2-butylhexanoate
CID 175287311
10-oxo-10-(phenylmethoxycarbonyloxymethoxy)-9-(phenylmethoxycarbonyloxymethyl)decanoic acid
CID 69026786
1-O-benzyl 11-O-butyl 2-octylundecanedioate
CID 90379164
6-[methyl(phenylmethoxycarbonyl)amino]heptanoic acid
CID 57011998
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553

Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxycarbonylnonanoic acid?
The IUPAC name of 7-phenylmethoxycarbonylnonanoic acid (CID 154313414) is 7-phenylmethoxycarbonylnonanoic acid.
What is the SMILES notation for 7-phenylmethoxycarbonylnonanoic acid?
The canonical SMILES for 7-phenylmethoxycarbonylnonanoic acid is CCC(CCCCCC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of 7-phenylmethoxycarbonylnonanoic acid?
The InChIKey is ALHZBDXZLIRSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-2-15(11-7-4-8-12-16(18)19)17(20)21-13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3,(H,18,19).
What are the key properties of 7-phenylmethoxycarbonylnonanoic acid?
7-phenylmethoxycarbonylnonanoic acid has a molecular weight of 292.37 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxycarbonylnonanoic acid is sourced from PubChem (CID 154313414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).