3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde

C23H32O4 — CID 88613330

IUPAC3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde
SMILESCCc1cc(OCCCCCCCCCCOc2ccccc2)oc1C=O
InChIInChI=1S/C23H32O4/c1-2-20-18-23(27-22(20)19-24)26-17-13-8-6-4-3-5-7-12-16-25-21-14-10-9-11-15-21/h9-11,14-15,18-19H,2-8,12-13,16-17H2,1H3
InChIKeyFTVLXBRXHYDHLL-UHFFFAOYSA-N
MW372.51 g/mol
LogP6.23
Rot. Bonds15

About 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde

3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde (PubChem CID 88613330) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde
PubChem CID88613330
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde
SMILESCCc1cc(OCCCCCCCCCCOc2ccccc2)oc1C=O
InChIInChI=1S/C23H32O4/c1-2-20-18-23(27-22(20)19-24)26-17-13-8-6-4-3-5-7-12-16-25-21-14-10-9-11-15-21/h9-11,14-15,18-19H,2-8,12-13,16-17H2,1H3
InChIKeyFTVLXBRXHYDHLL-UHFFFAOYSA-N
XLogP6.23
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 56.23
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

5-(6-phenoxyhexoxy)furan-2-carbaldehyde
CID 88608567
pentoxybenzene;undecane
CID 174778179
butoxybenzene;propanal
CID 174367271
CID 70492452
CID 70492452
N-ethyl-5-phenoxypentan-1-amine
CID 54394184
butoxybenzene;methyl formate
CID 174933114
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
3-methyl-5-pentoxyfuran-2-carbaldehyde;methylsulfinylmethane
CID 174554206
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde?
The IUPAC name of 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde (CID 88613330) is 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde?
The canonical SMILES for 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde is CCc1cc(OCCCCCCCCCCOc2ccccc2)oc1C=O.
What is the InChIKey of 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde?
The InChIKey is FTVLXBRXHYDHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c1-2-20-18-23(27-22(20)19-24)26-17-13-8-6-4-3-5-7-12-16-25-21-14-10-9-11-15-21/h9-11,14-15,18-19H,2-8,12-13,16-17H2,1H3.
What are the key properties of 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde?
3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde has a molecular weight of 372.51 g/mol, XLogP of 6.23, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde is sourced from PubChem (CID 88613330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).