3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid

C14H16O5 — CID 70957135

IUPAC3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)CCC(C(CO)C(=O)O)C2=O
InChIInChI=1S/C14H16O5/c1-19-9-3-5-10-8(6-9)2-4-11(13(10)16)12(7-15)14(17)18/h3,5-6,11-12,15H,2,4,7H2,1H3,(H,17,18)
InChIKeySLYJLDLETYNWMN-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.13
Rot. Bonds4

About 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid

3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid (PubChem CID 70957135) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
PubChem CID70957135
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)CCC(C(CO)C(=O)O)C2=O
InChIInChI=1S/C14H16O5/c1-19-9-3-5-10-8(6-9)2-4-11(13(10)16)12(7-15)14(17)18/h3,5-6,11-12,15H,2,4,7H2,1H3,(H,17,18)
InChIKeySLYJLDLETYNWMN-UHFFFAOYSA-N
XLogP1.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
The IUPAC name of 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid (CID 70957135) is 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid is COc1ccc2c(c1)CCC(C(CO)C(=O)O)C2=O.
What is the InChIKey of 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
The InChIKey is SLYJLDLETYNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-19-9-3-5-10-8(6-9)2-4-11(13(10)16)12(7-15)14(17)18/h3,5-6,11-12,15H,2,4,7H2,1H3,(H,17,18).
What are the key properties of 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid is sourced from PubChem (CID 70957135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).