ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate

C16H16O5 — CID 14971234

IUPACethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2ccc(OC)cc2c1
InChIInChI=1S/C16H16O5/c1-4-20-16(18)12-7-11-8-13(19-3)5-6-14(11)15(9-12)21-10(2)17/h5-9H,4H2,1-3H3
InChIKeyPQJKWNCYBPJAOY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.95
Rot. Bonds4

About ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate

ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate (PubChem CID 14971234) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
PubChem CID14971234
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2ccc(OC)cc2c1
InChIInChI=1S/C16H16O5/c1-4-20-16(18)12-7-11-8-13(19-3)5-6-14(11)15(9-12)21-10(2)17/h5-9H,4H2,1-3H3
InChIKeyPQJKWNCYBPJAOY-UHFFFAOYSA-N
XLogP2.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.95
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

ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
CID 90202516
(6-methoxynaphthalen-1-yl) acetate
CID 11424471
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
ethyl acetate;ethyl 4-methyl-7-phenylmethoxynaphthalene-2-carboxylate
CID 90757798
ethyl 7-methoxyquinoline-3-carboxylate;hydrochloride
CID 22326874
[7-methoxy-3-(3-methylbutanoyl)naphthalen-1-yl] acetate
CID 68836301
7-methoxy-4-(phosphanylmethoxy)naphthalene-2-carboxylic acid
CID 143812778
ethyl 3,5-diiodo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 10602479
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 7-acetyloxy-1-methylindazole-5-carboxylate
CID 170986034
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate (CID 14971234) is ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate is CCOC(=O)c1cc(OC(C)=O)c2ccc(OC)cc2c1.
What is the InChIKey of ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate?
The InChIKey is PQJKWNCYBPJAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-4-20-16(18)12-7-11-8-13(19-3)5-6-14(11)15(9-12)21-10(2)17/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate?
ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 14971234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).