2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid

C15H16O4 — CID 131855492

IUPAC2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2c(C(C)C(=O)O)ccc(OC)c2c1
InChIInChI=1S/C15H16O4/c1-9(15(16)17)11-6-7-14(19-3)13-8-10(18-2)4-5-12(11)13/h4-9H,1-3H3,(H,16,17)
InChIKeyMLBTVMWDDKMKGY-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.05
Rot. Bonds4

About 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid

2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid (PubChem CID 131855492) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
PubChem CID131855492
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2c(C(C)C(=O)O)ccc(OC)c2c1
InChIInChI=1S/C15H16O4/c1-9(15(16)17)11-6-7-14(19-3)13-8-10(18-2)4-5-12(11)13/h4-9H,1-3H3,(H,16,17)
InChIKeyMLBTVMWDDKMKGY-UHFFFAOYSA-N
XLogP3.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-4-methoxyphenyl)propanoic acid
CID 117321879
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
3-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953323
(2S)-2-[1-[9-[2-[(1S)-1-carboxyethyl]-6-methoxynaphthalen-1-yl]nonyl]-6-methoxynaphthalen-2-yl]propanoic acid
CID 178182940
2-(5-methoxy-1-propan-2-ylindol-3-yl)propanoic acid
CID 117121168
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
CID 117337126
2-(1-ethyl-6-methoxyindol-3-yl)propanoic acid
CID 117122339
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid (CID 131855492) is 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid is COc1ccc2c(C(C)C(=O)O)ccc(OC)c2c1.
What is the InChIKey of 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid?
The InChIKey is MLBTVMWDDKMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9(15(16)17)11-6-7-14(19-3)13-8-10(18-2)4-5-12(11)13/h4-9H,1-3H3,(H,16,17).
What are the key properties of 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid?
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 131855492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).