[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate

C16H20O4 — CID 175072908

IUPAC[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate
SMILESCOCC1(c2ccc(OC)c(OC(=O)C3CC3)c2)CC1
InChIInChI=1S/C16H20O4/c1-18-10-16(7-8-16)12-5-6-13(19-2)14(9-12)20-15(17)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyTYNYBAMXGKSFRB-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.69
Rot. Bonds6

About [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate

[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate (PubChem CID 175072908) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate
PubChem CID175072908
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate
SMILESCOCC1(c2ccc(OC)c(OC(=O)C3CC3)c2)CC1
InChIInChI=1S/C16H20O4/c1-18-10-16(7-8-16)12-5-6-13(19-2)14(9-12)20-15(17)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3
InChIKeyTYNYBAMXGKSFRB-UHFFFAOYSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.69
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 [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate?
The IUPAC name of [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate (CID 175072908) is [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate?
The canonical SMILES for [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate is COCC1(c2ccc(OC)c(OC(=O)C3CC3)c2)CC1.
What is the InChIKey of [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate?
The InChIKey is TYNYBAMXGKSFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-18-10-16(7-8-16)12-5-6-13(19-2)14(9-12)20-15(17)11-3-4-11/h5-6,9,11H,3-4,7-8,10H2,1-2H3.
What are the key properties of [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate?
[2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[1-(methoxymethyl)cyclopropyl]phenyl] cyclopropanecarboxylate is sourced from PubChem (CID 175072908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).