5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde

C14H12O3 — CID 106886623

IUPAC5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(OC3CC3)c2)o1
InChIInChI=1S/C14H12O3/c15-9-13-6-7-14(17-13)10-2-1-3-12(8-10)16-11-4-5-11/h1-3,6-9,11H,4-5H2
InChIKeyWGJJJPLBZKFYBP-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.30
Rot. Bonds4

About 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde

5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde (PubChem CID 106886623) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
PubChem CID106886623
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(OC3CC3)c2)o1
InChIInChI=1S/C14H12O3/c15-9-13-6-7-14(17-13)10-2-1-3-12(8-10)16-11-4-5-11/h1-3,6-9,11H,4-5H2
InChIKeyWGJJJPLBZKFYBP-UHFFFAOYSA-N
XLogP3.30
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(4-fluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169334086
5-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]furan-2-carbaldehyde
CID 169333082
5-(3-pyridin-2-yloxyphenyl)furan-2-carbaldehyde
CID 169333182
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
5-[3-(3,3-difluorocyclobutyl)phenyl]furan-2-carbaldehyde
CID 169334742
5-[3-(2,5-dioxopyrrolidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169333937
5-[3-(4-methylpiperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169332252
5-[2-bromo-6-(cyclopropylamino)phenyl]furan-2-carbaldehyde
CID 169335104
5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
4-[3-(furan-2-yl)phenoxy]piperidine
CID 24733677
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
3-(3-cyclopropyloxyphenyl)-2,5-dihydro-1H-pyrrole
CID 114522779

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde (CID 106886623) is 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(OC3CC3)c2)o1.
What is the InChIKey of 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde?
The InChIKey is WGJJJPLBZKFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-9-13-6-7-14(17-13)10-2-1-3-12(8-10)16-11-4-5-11/h1-3,6-9,11H,4-5H2.
What are the key properties of 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde?
5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyloxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).