5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde

C20H18O3 — CID 169333226

IUPAC5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCCCc3ccccc3)cc2)o1
InChIInChI=1S/C20H18O3/c21-15-19-12-13-20(23-19)17-8-10-18(11-9-17)22-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2
InChIKeyTXQWDTBILYTRND-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.77
Rot. Bonds7

About 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde

5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169333226) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
PubChem CID169333226
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCCCc3ccccc3)cc2)o1
InChIInChI=1S/C20H18O3/c21-15-19-12-13-20(23-19)17-8-10-18(11-9-17)22-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2
InChIKeyTXQWDTBILYTRND-UHFFFAOYSA-N
XLogP4.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Benzofurancarboxaldehyde
CID 61341
2,5-Diphenylfuran
CID 70387
1-Benzofuran-5-carbaldehyde
CID 2773875
2-Benzoylbenzofuran
CID 95808
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
5-(4-Fluoro-phenyl)-furan-2-carbaldehyde
CID 766117
Benzaldehyde, 4-(phenylmethoxy)-
CID 78109
5-[(4-Sec-butylphenoxy)methyl]-2-furoic acid
CID 580500
3-(5-Formyl-2-furyl)benzoic acid
CID 612216
p-Benzyloxypropiophenone
CID 78246
Elsholtziaketone
CID 521240
1-(4-((3-Methylphenyl)methoxy)phenyl)ethan-1-one
CID 5200303

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde (CID 169333226) is 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(OCCCc3ccccc3)cc2)o1.
What is the InChIKey of 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is TXQWDTBILYTRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c21-15-19-12-13-20(23-19)17-8-10-18(11-9-17)22-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2.
What are the key properties of 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde?
5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 306.36 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169333226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).