2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid

C14H12O5 — CID 23318370

IUPAC2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid
SMILESCC(=O)c1ccc2c(OCC(=O)O)cccc2c1O
InChIInChI=1S/C14H12O5/c1-8(15)9-5-6-10-11(14(9)18)3-2-4-12(10)19-7-13(16)17/h2-6,18H,7H2,1H3,(H,16,17)
InChIKeyNRMFPIJNKQOHQZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.21
Rot. Bonds4

About 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid

2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid (PubChem CID 23318370) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid
PubChem CID23318370
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid
SMILESCC(=O)c1ccc2c(OCC(=O)O)cccc2c1O
InChIInChI=1S/C14H12O5/c1-8(15)9-5-6-10-11(14(9)18)3-2-4-12(10)19-7-13(16)17/h2-6,18H,7H2,1H3,(H,16,17)
InChIKeyNRMFPIJNKQOHQZ-UHFFFAOYSA-N
XLogP2.21
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-3-hydroxy-2-methylphenoxy)acetic acid
CID 21287011
2-(4-propanoylnaphthalen-1-yl)oxyacetic acid
CID 154198459
2-(4-hydroxy-2-oxo-3-propan-2-yloxychromen-8-yl)oxyacetic acid
CID 54696938
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium
CID 174557605
1-(3-aminooxy-2-hydroxyphenyl)ethanone
CID 174471693
CID 131854846
CID 131854846
1-(1-hydroxynaphthalen-2-yl)ethanone;vanadium;trichloride
CID 174494917
methyl 4-(1-hydroxy-5-methoxynaphthalen-2-yl)-3-methoxy-4-oxobutanoate
CID 11267115
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581

Frequently Asked Questions

What is the IUPAC name of 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid?
The IUPAC name of 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid (CID 23318370) is 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid?
The canonical SMILES for 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid is CC(=O)c1ccc2c(OCC(=O)O)cccc2c1O.
What is the InChIKey of 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid?
The InChIKey is NRMFPIJNKQOHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-8(15)9-5-6-10-11(14(9)18)3-2-4-12(10)19-7-13(16)17/h2-6,18H,7H2,1H3,(H,16,17).
What are the key properties of 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid?
2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid has a molecular weight of 260.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-acetyl-5-hydroxynaphthalen-1-yl)oxyacetic acid is sourced from PubChem (CID 23318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).