propan-2-yl 2-naphthalen-2-ylbutanoate

C17H20O2 — CID 42601241

IUPACpropan-2-yl 2-naphthalen-2-ylbutanoate
SMILESCCC(C(=O)OC(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c1-4-16(17(18)19-12(2)3)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3
InChIKeyKKMKFWXSTCBNQK-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.28
Rot. Bonds4

About propan-2-yl 2-naphthalen-2-ylbutanoate

propan-2-yl 2-naphthalen-2-ylbutanoate (PubChem CID 42601241) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is propan-2-yl 2-naphthalen-2-ylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-naphthalen-2-ylbutanoate
PubChem CID42601241
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Namepropan-2-yl 2-naphthalen-2-ylbutanoate
SMILESCCC(C(=O)OC(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C17H20O2/c1-4-16(17(18)19-12(2)3)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3
InChIKeyKKMKFWXSTCBNQK-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-naphthalen-2-ylbutanoate?
The IUPAC name of propan-2-yl 2-naphthalen-2-ylbutanoate (CID 42601241) is propan-2-yl 2-naphthalen-2-ylbutanoate.
What is the SMILES notation for propan-2-yl 2-naphthalen-2-ylbutanoate?
The canonical SMILES for propan-2-yl 2-naphthalen-2-ylbutanoate is CCC(C(=O)OC(C)C)c1ccc2ccccc2c1.
What is the InChIKey of propan-2-yl 2-naphthalen-2-ylbutanoate?
The InChIKey is KKMKFWXSTCBNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-4-16(17(18)19-12(2)3)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16H,4H2,1-3H3.
What are the key properties of propan-2-yl 2-naphthalen-2-ylbutanoate?
propan-2-yl 2-naphthalen-2-ylbutanoate has a molecular weight of 256.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-naphthalen-2-ylbutanoate is sourced from PubChem (CID 42601241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).