[2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate

C22H20O5 — CID 118712400

IUPAC[2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate
SMILESCOc1ccc2cc(-c3ccc(OC(C)=O)c(COC(C)=O)c3)ccc2c1
InChIInChI=1S/C22H20O5/c1-14(23)26-13-20-11-18(7-9-22(20)27-15(2)24)16-4-5-19-12-21(25-3)8-6-17(19)10-16/h4-12H,13H2,1-3H3
InChIKeyHNDAVJCOHJHCMC-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.50
Rot. Bonds5

About [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate

[2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate (PubChem CID 118712400) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate.

Molecular Properties

Compound Name[2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate
PubChem CID118712400
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name[2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate
SMILESCOc1ccc2cc(-c3ccc(OC(C)=O)c(COC(C)=O)c3)ccc2c1
InChIInChI=1S/C22H20O5/c1-14(23)26-13-20-11-18(7-9-22(20)27-15(2)24)16-4-5-19-12-21(25-3)8-6-17(19)10-16/h4-12H,13H2,1-3H3
InChIKeyHNDAVJCOHJHCMC-UHFFFAOYSA-N
XLogP4.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate?
The IUPAC name of [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate (CID 118712400) is [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate.
What is the SMILES notation for [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate?
The canonical SMILES for [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate is COc1ccc2cc(-c3ccc(OC(C)=O)c(COC(C)=O)c3)ccc2c1.
What is the InChIKey of [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate?
The InChIKey is HNDAVJCOHJHCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-14(23)26-13-20-11-18(7-9-22(20)27-15(2)24)16-4-5-19-12-21(25-3)8-6-17(19)10-16/h4-12H,13H2,1-3H3.
What are the key properties of [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate?
[2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate has a molecular weight of 364.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate is sourced from PubChem (CID 118712400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).