5-(6-phenoxyhexoxy)furan-2-carbaldehyde

C17H20O4 — CID 88608567

IUPAC5-(6-phenoxyhexoxy)furan-2-carbaldehyde
SMILESO=Cc1ccc(OCCCCCCOc2ccccc2)o1
InChIInChI=1S/C17H20O4/c18-14-16-10-11-17(21-16)20-13-7-2-1-6-12-19-15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKeyAAARFCSVCJNGST-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.11
Rot. Bonds10

About 5-(6-phenoxyhexoxy)furan-2-carbaldehyde

5-(6-phenoxyhexoxy)furan-2-carbaldehyde (PubChem CID 88608567) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-(6-phenoxyhexoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(6-phenoxyhexoxy)furan-2-carbaldehyde
PubChem CID88608567
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name5-(6-phenoxyhexoxy)furan-2-carbaldehyde
SMILESO=Cc1ccc(OCCCCCCOc2ccccc2)o1
InChIInChI=1S/C17H20O4/c18-14-16-10-11-17(21-16)20-13-7-2-1-6-12-19-15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2
InChIKeyAAARFCSVCJNGST-UHFFFAOYSA-N
XLogP4.11
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde
CID 88613330
5-(4-methylpentoxy)furan-2-carbaldehyde
CID 79117165
5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333226
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
5-(4-hexoxyphenyl)sulfonylfuran-2-carbaldehyde
CID 82368737
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
pentoxybenzene;undecane
CID 174778179
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
7-phenoxyheptan-1-ol
CID 15856264

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenoxyhexoxy)furan-2-carbaldehyde?
The IUPAC name of 5-(6-phenoxyhexoxy)furan-2-carbaldehyde (CID 88608567) is 5-(6-phenoxyhexoxy)furan-2-carbaldehyde.
What is the SMILES notation for 5-(6-phenoxyhexoxy)furan-2-carbaldehyde?
The canonical SMILES for 5-(6-phenoxyhexoxy)furan-2-carbaldehyde is O=Cc1ccc(OCCCCCCOc2ccccc2)o1.
What is the InChIKey of 5-(6-phenoxyhexoxy)furan-2-carbaldehyde?
The InChIKey is AAARFCSVCJNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c18-14-16-10-11-17(21-16)20-13-7-2-1-6-12-19-15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,12-13H2.
What are the key properties of 5-(6-phenoxyhexoxy)furan-2-carbaldehyde?
5-(6-phenoxyhexoxy)furan-2-carbaldehyde has a molecular weight of 288.34 g/mol, XLogP of 4.11, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenoxyhexoxy)furan-2-carbaldehyde is sourced from PubChem (CID 88608567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).