(4-methoxynaphthalen-1-yl) 2-methylpropanoate

C15H16O3 — CID 142734241

IUPAC(4-methoxynaphthalen-1-yl) 2-methylpropanoate
SMILESCOc1ccc(OC(=O)C(C)C)c2ccccc12
InChIInChI=1S/C15H16O3/c1-10(2)15(16)18-14-9-8-13(17-3)11-6-4-5-7-12(11)14/h4-10H,1-3H3
InChIKeyRPXPSBJNTUBENJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.41
Rot. Bonds3

About (4-methoxynaphthalen-1-yl) 2-methylpropanoate

(4-methoxynaphthalen-1-yl) 2-methylpropanoate (PubChem CID 142734241) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4-methoxynaphthalen-1-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(4-methoxynaphthalen-1-yl) 2-methylpropanoate
PubChem CID142734241
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(4-methoxynaphthalen-1-yl) 2-methylpropanoate
SMILESCOc1ccc(OC(=O)C(C)C)c2ccccc12
InChIInChI=1S/C15H16O3/c1-10(2)15(16)18-14-9-8-13(17-3)11-6-4-5-7-12(11)14/h4-10H,1-3H3
InChIKeyRPXPSBJNTUBENJ-UHFFFAOYSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) 2-methylpropanoate
CID 836904
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
[2-(2-amino-3-methylbutanoyl)oxy-3-methoxyphenyl] 2-amino-3-methylbutanoate
CID 175864999
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 41470143
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
(4-methoxy-2-methyl-3-pyridinyl) 2-methylpropanoate
CID 146481396
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
1-amino-1-(2-methoxyphenyl)-3-methylbutan-2-one
CID 166510839

Frequently Asked Questions

What is the IUPAC name of (4-methoxynaphthalen-1-yl) 2-methylpropanoate?
The IUPAC name of (4-methoxynaphthalen-1-yl) 2-methylpropanoate (CID 142734241) is (4-methoxynaphthalen-1-yl) 2-methylpropanoate.
What is the SMILES notation for (4-methoxynaphthalen-1-yl) 2-methylpropanoate?
The canonical SMILES for (4-methoxynaphthalen-1-yl) 2-methylpropanoate is COc1ccc(OC(=O)C(C)C)c2ccccc12.
What is the InChIKey of (4-methoxynaphthalen-1-yl) 2-methylpropanoate?
The InChIKey is RPXPSBJNTUBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(2)15(16)18-14-9-8-13(17-3)11-6-4-5-7-12(11)14/h4-10H,1-3H3.
What are the key properties of (4-methoxynaphthalen-1-yl) 2-methylpropanoate?
(4-methoxynaphthalen-1-yl) 2-methylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxynaphthalen-1-yl) 2-methylpropanoate is sourced from PubChem (CID 142734241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).