5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid

C16H16O4 — CID 68746310

IUPAC5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
SMILESCOc1ccc2cc(CCCC(=O)C(=O)O)ccc2c1
InChIInChI=1S/C16H16O4/c1-20-14-8-7-12-9-11(5-6-13(12)10-14)3-2-4-15(17)16(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyVNQFQTLHXLSRKI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.82
Rot. Bonds6

About 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid

5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid (PubChem CID 68746310) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
PubChem CID68746310
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
SMILESCOc1ccc2cc(CCCC(=O)C(=O)O)ccc2c1
InChIInChI=1S/C16H16O4/c1-20-14-8-7-12-9-11(5-6-13(12)10-14)3-2-4-15(17)16(18)19/h5-10H,2-4H2,1H3,(H,18,19)
InChIKeyVNQFQTLHXLSRKI-UHFFFAOYSA-N
XLogP2.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
benzyl 5-(4-methoxyphenyl)-2-oxopentanoate
CID 18370787
4-[(6-methoxynaphthalen-2-yl)methylamino]butanoic acid
CID 60782976
ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
CID 66687162
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
5-(4-methoxyphenyl)pentanamide
CID 134389506
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
2-bromo-N-[2-(7-methoxynaphthalen-2-yl)ethyl]acetamide
CID 19021879
4-(6-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 116926814
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid?
The IUPAC name of 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid (CID 68746310) is 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid.
What is the SMILES notation for 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid?
The canonical SMILES for 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid is COc1ccc2cc(CCCC(=O)C(=O)O)ccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid?
The InChIKey is VNQFQTLHXLSRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-20-14-8-7-12-9-11(5-6-13(12)10-14)3-2-4-15(17)16(18)19/h5-10H,2-4H2,1H3,(H,18,19).
What are the key properties of 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid?
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid is sourced from PubChem (CID 68746310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).