propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate

C17H20O3 — CID 11254291

IUPACpropan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OC(C)C)ccc2c1
InChIInChI=1S/C17H20O3/c1-11(2)20-17(18)12(3)13-5-6-15-10-16(19-4)8-7-14(15)9-13/h5-12H,1-4H3
InChIKeyKABDXMXJNHRMMO-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.90
Rot. Bonds4

About propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate

propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 11254291) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID11254291
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Namepropan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OC(C)C)ccc2c1
InChIInChI=1S/C17H20O3/c1-11(2)20-17(18)12(3)13-5-6-15-10-16(19-4)8-7-14(15)9-13/h5-12H,1-4H3
InChIKeyKABDXMXJNHRMMO-UHFFFAOYSA-N
XLogP3.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate (CID 11254291) is propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OC(C)C)ccc2c1.
What is the InChIKey of propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is KABDXMXJNHRMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-11(2)20-17(18)12(3)13-5-6-15-10-16(19-4)8-7-14(15)9-13/h5-12H,1-4H3.
What are the key properties of propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate?
propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 272.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 11254291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).