3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid

C14H16O4 — CID 10776928

IUPAC3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)C(=O)C(CCC(=O)O)CC2
InChIInChI=1S/C14H16O4/c1-18-11-6-4-9-2-3-10(5-7-13(15)16)14(17)12(9)8-11/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyRCRIGIYYNYCPSJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.31
Rot. Bonds4

About 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid

3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid (PubChem CID 10776928) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
PubChem CID10776928
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
SMILESCOc1ccc2c(c1)C(=O)C(CCC(=O)O)CC2
InChIInChI=1S/C14H16O4/c1-18-11-6-4-9-2-3-10(5-7-13(15)16)14(17)12(9)8-11/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyRCRIGIYYNYCPSJ-UHFFFAOYSA-N
XLogP2.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
3-(7-methyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10857317
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
4-[6-(4-methoxyphenyl)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]butanoic acid
CID 143529160
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
2-benzoyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 79235413
7-methoxy-2-(4-methoxybenzoyl)-3,4-dihydro-2H-naphthalen-1-one
CID 59419878
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
(3R)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721891
(3S)-3-hydroxy-3-[[(2S)-7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]methyl]-1H-indol-2-one
CID 721893
3-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-2-yl)propanoic acid
CID 14128308

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
The IUPAC name of 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid (CID 10776928) is 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid.
What is the SMILES notation for 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
The canonical SMILES for 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid is COc1ccc2c(c1)C(=O)C(CCC(=O)O)CC2.
What is the InChIKey of 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
The InChIKey is RCRIGIYYNYCPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-18-11-6-4-9-2-3-10(5-7-13(15)16)14(17)12(9)8-11/h4,6,8,10H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid?
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid is sourced from PubChem (CID 10776928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).