(4-acetyloxy-3-methylnaphthalen-1-yl) acetate

C15H14O4 — CID 11310

IUPAC(4-acetyloxy-3-methylnaphthalen-1-yl) acetate
SMILESCC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12
InChIInChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
InChIKeyRYWSYCQQUDFMAU-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.00
Rot. Bonds2

About (4-acetyloxy-3-methylnaphthalen-1-yl) acetate

(4-acetyloxy-3-methylnaphthalen-1-yl) acetate (PubChem CID 11310) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is (4-acetyloxy-3-methylnaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-3-methylnaphthalen-1-yl) acetate
PubChem CID11310
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name(4-acetyloxy-3-methylnaphthalen-1-yl) acetate
SMILESCC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12
InChIInChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3
InChIKeyRYWSYCQQUDFMAU-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4-acetyloxy-3-methylnaphthalen-1-yl) acetate?
The IUPAC name of (4-acetyloxy-3-methylnaphthalen-1-yl) acetate (CID 11310) is (4-acetyloxy-3-methylnaphthalen-1-yl) acetate.
What is the SMILES notation for (4-acetyloxy-3-methylnaphthalen-1-yl) acetate?
The canonical SMILES for (4-acetyloxy-3-methylnaphthalen-1-yl) acetate is CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12.
What is the InChIKey of (4-acetyloxy-3-methylnaphthalen-1-yl) acetate?
The InChIKey is RYWSYCQQUDFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9-8-14(18-10(2)16)12-6-4-5-7-13(12)15(9)19-11(3)17/h4-8H,1-3H3.
What are the key properties of (4-acetyloxy-3-methylnaphthalen-1-yl) acetate?
(4-acetyloxy-3-methylnaphthalen-1-yl) acetate has a molecular weight of 258.27 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3-methylnaphthalen-1-yl) acetate is sourced from PubChem (CID 11310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).