methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate

C14H15FO3 — CID 57280044

IUPACmethyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1(c2ccc(F)c(OC)c2)CC=CC1
InChIInChI=1S/C14H15FO3/c1-17-12-9-10(5-6-11(12)15)14(13(16)18-2)7-3-4-8-14/h3-6,9H,7-8H2,1-2H3
InChIKeyZQUJIDBWJBHZGQ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.60
Rot. Bonds3

About methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate

methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate (PubChem CID 57280044) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate
PubChem CID57280044
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Namemethyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate
SMILESCOC(=O)C1(c2ccc(F)c(OC)c2)CC=CC1
InChIInChI=1S/C14H15FO3/c1-17-12-9-10(5-6-11(12)15)14(13(16)18-2)7-3-4-8-14/h3-6,9H,7-8H2,1-2H3
InChIKeyZQUJIDBWJBHZGQ-UHFFFAOYSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate?
The IUPAC name of methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate (CID 57280044) is methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate?
The canonical SMILES for methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate is COC(=O)C1(c2ccc(F)c(OC)c2)CC=CC1.
What is the InChIKey of methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate?
The InChIKey is ZQUJIDBWJBHZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-17-12-9-10(5-6-11(12)15)14(13(16)18-2)7-3-4-8-14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate?
methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate has a molecular weight of 250.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluoro-3-methoxyphenyl)cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 57280044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).