1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid

C16H14N2O3 — CID 62138617

IUPAC1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCCn1ccnc1Oc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C16H14N2O3/c1-2-18-10-9-17-16(18)21-14-12-6-4-3-5-11(12)7-8-13(14)15(19)20/h3-10H,2H2,1H3,(H,19,20)
InChIKeyRFVNQKSAEZMHOT-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.55
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid

1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid (PubChem CID 62138617) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid
PubChem CID62138617
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid
SMILESCCn1ccnc1Oc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C16H14N2O3/c1-2-18-10-9-17-16(18)21-14-12-6-4-3-5-11(12)7-8-13(14)15(19)20/h3-10H,2H2,1H3,(H,19,20)
InChIKeyRFVNQKSAEZMHOT-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid?
The IUPAC name of 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid (CID 62138617) is 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid is CCn1ccnc1Oc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid?
The InChIKey is RFVNQKSAEZMHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-18-10-9-17-16(18)21-14-12-6-4-3-5-11(12)7-8-13(14)15(19)20/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid?
1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)oxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 62138617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).