3-(4-propylphenyl)furan-2-carbaldehyde

C14H14O2 — CID 106886471

IUPAC3-(4-propylphenyl)furan-2-carbaldehyde
SMILESCCCc1ccc(-c2ccoc2C=O)cc1
InChIInChI=1S/C14H14O2/c1-2-3-11-4-6-12(7-5-11)13-8-9-16-14(13)10-15/h4-10H,2-3H2,1H3
InChIKeyBTHLGPCTOJHVBG-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-propylphenyl)furan-2-carbaldehyde

3-(4-propylphenyl)furan-2-carbaldehyde (PubChem CID 106886471) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-(4-propylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(4-propylphenyl)furan-2-carbaldehyde
PubChem CID106886471
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name3-(4-propylphenyl)furan-2-carbaldehyde
SMILESCCCc1ccc(-c2ccoc2C=O)cc1
InChIInChI=1S/C14H14O2/c1-2-3-11-4-6-12(7-5-11)13-8-9-16-14(13)10-15/h4-10H,2-3H2,1H3
InChIKeyBTHLGPCTOJHVBG-UHFFFAOYSA-N
XLogP3.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methylbutan-2-yl)phenyl]furan-2-carbaldehyde
CID 106888479
3-(3-nonylphenyl)furan-2-carbaldehyde
CID 151941952
3-[4-(N-phenylanilino)phenyl]furan-2-carbaldehyde
CID 151991885
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128389
4-(4-propylphenyl)thiophene-2-carbaldehyde
CID 165486992
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
3-(2-methoxy-4-pyridinyl)furan-2-carbaldehyde
CID 106886589
4-bromo-5-(4-propylphenyl)-1,3-thiazole-2-carbaldehyde
CID 86614797

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(4-propylphenyl)furan-2-carbaldehyde (CID 106886471) is 3-(4-propylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(4-propylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(4-propylphenyl)furan-2-carbaldehyde is CCCc1ccc(-c2ccoc2C=O)cc1.
What is the InChIKey of 3-(4-propylphenyl)furan-2-carbaldehyde?
The InChIKey is BTHLGPCTOJHVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-3-11-4-6-12(7-5-11)13-8-9-16-14(13)10-15/h4-10H,2-3H2,1H3.
What are the key properties of 3-(4-propylphenyl)furan-2-carbaldehyde?
3-(4-propylphenyl)furan-2-carbaldehyde has a molecular weight of 214.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 106886471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).