(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate

C19H16O4 — CID 71884345

IUPAC(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCOc1ccc2ccc(OC(=O)C3CC3c3ccco3)cc2c1
InChIInChI=1S/C19H16O4/c1-21-14-6-4-12-5-7-15(10-13(12)9-14)23-19(20)17-11-16(17)18-3-2-8-22-18/h2-10,16-17H,11H2,1H3
InChIKeyRUXBXEIRMDWBOM-UHFFFAOYSA-N
MW308.33 g/mol
LogP4.15
Rot. Bonds4

About (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate

(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate (PubChem CID 71884345) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate
PubChem CID71884345
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate
SMILESCOc1ccc2ccc(OC(=O)C3CC3c3ccco3)cc2c1
InChIInChI=1S/C19H16O4/c1-21-14-6-4-12-5-7-15(10-13(12)9-14)23-19(20)17-11-16(17)18-3-2-8-22-18/h2-10,16-17H,11H2,1H3
InChIKeyRUXBXEIRMDWBOM-UHFFFAOYSA-N
XLogP4.15
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 54.15
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 (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate (CID 71884345) is (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate is COc1ccc2ccc(OC(=O)C3CC3c3ccco3)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is RUXBXEIRMDWBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-21-14-6-4-12-5-7-15(10-13(12)9-14)23-19(20)17-11-16(17)18-3-2-8-22-18/h2-10,16-17H,11H2,1H3.
What are the key properties of (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate?
(7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) 2-(furan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71884345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).