3-methoxy-2-naphthalen-1-ylpropanoic acid

C14H14O3 — CID 84752957

IUPAC3-methoxy-2-naphthalen-1-ylpropanoic acid
SMILESCOCC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H14O3/c1-17-9-13(14(15)16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H,15,16)
InChIKeyUERYJQODRYPEND-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.65
Rot. Bonds4

About 3-methoxy-2-naphthalen-1-ylpropanoic acid

3-methoxy-2-naphthalen-1-ylpropanoic acid (PubChem CID 84752957) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-methoxy-2-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-naphthalen-1-ylpropanoic acid
PubChem CID84752957
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name3-methoxy-2-naphthalen-1-ylpropanoic acid
SMILESCOCC(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H14O3/c1-17-9-13(14(15)16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H,15,16)
InChIKeyUERYJQODRYPEND-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-naphthalen-1-yl-1-[(2S)-3-oxido-1,3-oxazolidin-2-yl]propan-1-one
CID 88508919
2-naphthalen-1-yldodecanoic acid
CID 23333439
(3-carboxy-3-naphthalen-1-ylpropyl)-dimethylazanium chloride
CID 22888
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
3-[4-(2-methylpropoxy)phenyl]-2-naphthalen-1-ylpropanoic acid
CID 112720942
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid
CID 75365708
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-(4-hydroxy-3-methoxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83955219
(2S)-3-(4-chlorophenyl)-2-naphthalen-1-ylpropanoic acid
CID 94734384
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-naphthalen-1-ylpropanoic acid?
The IUPAC name of 3-methoxy-2-naphthalen-1-ylpropanoic acid (CID 84752957) is 3-methoxy-2-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for 3-methoxy-2-naphthalen-1-ylpropanoic acid?
The canonical SMILES for 3-methoxy-2-naphthalen-1-ylpropanoic acid is COCC(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 3-methoxy-2-naphthalen-1-ylpropanoic acid?
The InChIKey is UERYJQODRYPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-17-9-13(14(15)16)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,13H,9H2,1H3,(H,15,16).
What are the key properties of 3-methoxy-2-naphthalen-1-ylpropanoic acid?
3-methoxy-2-naphthalen-1-ylpropanoic acid has a molecular weight of 230.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 84752957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).