7-naphthalen-2-yloxyheptanoic acid

C17H20O3 — CID 39371628

IUPAC7-naphthalen-2-yloxyheptanoic acid
SMILESO=C(O)CCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H20O3/c18-17(19)9-3-1-2-6-12-20-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13H,1-3,6,9,12H2,(H,18,19)
InChIKeyQSYVSTGGSPDQER-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.25
Rot. Bonds8

About 7-naphthalen-2-yloxyheptanoic acid

7-naphthalen-2-yloxyheptanoic acid (PubChem CID 39371628) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 7-naphthalen-2-yloxyheptanoic acid.

Molecular Properties

Compound Name7-naphthalen-2-yloxyheptanoic acid
PubChem CID39371628
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name7-naphthalen-2-yloxyheptanoic acid
SMILESO=C(O)CCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H20O3/c18-17(19)9-3-1-2-6-12-20-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13H,1-3,6,9,12H2,(H,18,19)
InChIKeyQSYVSTGGSPDQER-UHFFFAOYSA-N
XLogP4.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.25
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

7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
5-naphthalen-1-yloxypentanoic acid;5-naphthalen-2-yloxypentanoic acid
CID 138543521
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
9-phenoxynonanoic acid
CID 15887638
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
5-[2-(4-naphthalen-2-yloxybutoxy)-9H-fluoren-9-yl]pentanoic acid
CID 143490688
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
9-(4-phenylphenoxy)nonanoic acid
CID 66874790
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
CID 67841364
6-(3,5-diphenylphenoxy)hexanoic acid
CID 18987245
7-(4-phenylmethoxyphenoxy)heptanoic acid
CID 66930866

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yloxyheptanoic acid?
The IUPAC name of 7-naphthalen-2-yloxyheptanoic acid (CID 39371628) is 7-naphthalen-2-yloxyheptanoic acid.
What is the SMILES notation for 7-naphthalen-2-yloxyheptanoic acid?
The canonical SMILES for 7-naphthalen-2-yloxyheptanoic acid is O=C(O)CCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 7-naphthalen-2-yloxyheptanoic acid?
The InChIKey is QSYVSTGGSPDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c18-17(19)9-3-1-2-6-12-20-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13H,1-3,6,9,12H2,(H,18,19).
What are the key properties of 7-naphthalen-2-yloxyheptanoic acid?
7-naphthalen-2-yloxyheptanoic acid has a molecular weight of 272.34 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yloxyheptanoic acid is sourced from PubChem (CID 39371628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).