(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate

C15H14O5 — CID 19871375

IUPAC(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
SMILESCOc1c(OC(C)=O)ccc2cc(OC(C)=O)ccc12
InChIInChI=1S/C15H14O5/c1-9(16)19-12-5-6-13-11(8-12)4-7-14(15(13)18-3)20-10(2)17/h4-8H,1-3H3
InChIKeyXBMPUWRRGAHYEX-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.70
Rot. Bonds3

About (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate

(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate (PubChem CID 19871375) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate.

Molecular Properties

Compound Name(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
PubChem CID19871375
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
SMILESCOc1c(OC(C)=O)ccc2cc(OC(C)=O)ccc12
InChIInChI=1S/C15H14O5/c1-9(16)19-12-5-6-13-11(8-12)4-7-14(15(13)18-3)20-10(2)17/h4-8H,1-3H3
InChIKeyXBMPUWRRGAHYEX-UHFFFAOYSA-N
XLogP2.70
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxynaphthalen-1-yl) acetate
CID 11424471
(1-tert-butyl-6-methoxynaphthalen-2-yl) acetate
CID 172766111
(3,4-dimethoxyphenyl) acetate
CID 593001
[4-[(E)-2-[5-[(E)-2-(4-acetyloxyphenyl)ethenyl]-6-methoxynaphthalen-2-yl]ethenyl]phenyl] acetate
CID 10576619
(3,5-diacetyloxy-6,7-dimethoxyphenanthren-2-yl) acetate
CID 163087748
6-acetyloxy-2-hydroxynaphthalene-1-carboxylic acid
CID 70465846
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
(4-formyl-3-methoxyphenyl) acetate
CID 22633336
[4-(3-acetyloxynaphthalen-1-yl)naphthalen-1-yl] acetate
CID 123134091
[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate
CID 123606446
(6-hydroxyanthracen-2-yl) acetate
CID 58800514

Frequently Asked Questions

What is the IUPAC name of (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate?
The IUPAC name of (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate (CID 19871375) is (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate.
What is the SMILES notation for (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate?
The canonical SMILES for (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate is COc1c(OC(C)=O)ccc2cc(OC(C)=O)ccc12.
What is the InChIKey of (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate?
The InChIKey is XBMPUWRRGAHYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-9(16)19-12-5-6-13-11(8-12)4-7-14(15(13)18-3)20-10(2)17/h4-8H,1-3H3.
What are the key properties of (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate?
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate has a molecular weight of 274.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxy-5-methoxynaphthalen-2-yl) acetate is sourced from PubChem (CID 19871375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).