(5-propan-2-ylnaphthalen-2-yl) acetate

C15H16O2 — CID 23110894

IUPAC(5-propan-2-ylnaphthalen-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(C(C)C)cccc2c1
InChIInChI=1S/C15H16O2/c1-10(2)14-6-4-5-12-9-13(17-11(3)16)7-8-15(12)14/h4-10H,1-3H3
InChIKeyPZFZUKBNJLTADQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.89
Rot. Bonds2

About (5-propan-2-ylnaphthalen-2-yl) acetate

(5-propan-2-ylnaphthalen-2-yl) acetate (PubChem CID 23110894) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (5-propan-2-ylnaphthalen-2-yl) acetate.

Molecular Properties

Compound Name(5-propan-2-ylnaphthalen-2-yl) acetate
PubChem CID23110894
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(5-propan-2-ylnaphthalen-2-yl) acetate
SMILESCC(=O)Oc1ccc2c(C(C)C)cccc2c1
InChIInChI=1S/C15H16O2/c1-10(2)14-6-4-5-12-9-13(17-11(3)16)7-8-15(12)14/h4-10H,1-3H3
InChIKeyPZFZUKBNJLTADQ-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-propan-2-ylnaphthalen-2-yl) acetate?
The IUPAC name of (5-propan-2-ylnaphthalen-2-yl) acetate (CID 23110894) is (5-propan-2-ylnaphthalen-2-yl) acetate.
What is the SMILES notation for (5-propan-2-ylnaphthalen-2-yl) acetate?
The canonical SMILES for (5-propan-2-ylnaphthalen-2-yl) acetate is CC(=O)Oc1ccc2c(C(C)C)cccc2c1.
What is the InChIKey of (5-propan-2-ylnaphthalen-2-yl) acetate?
The InChIKey is PZFZUKBNJLTADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-10(2)14-6-4-5-12-9-13(17-11(3)16)7-8-15(12)14/h4-10H,1-3H3.
What are the key properties of (5-propan-2-ylnaphthalen-2-yl) acetate?
(5-propan-2-ylnaphthalen-2-yl) acetate has a molecular weight of 228.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propan-2-ylnaphthalen-2-yl) acetate is sourced from PubChem (CID 23110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).