2,4-diethyl-9H-xanthene-9-carbaldehyde

C18H18O2 — CID 174679590

IUPAC2,4-diethyl-9H-xanthene-9-carbaldehyde
SMILESCCc1cc(CC)c2c(c1)C(C=O)c1ccccc1O2
InChIInChI=1S/C18H18O2/c1-3-12-9-13(4-2)18-15(10-12)16(11-19)14-7-5-6-8-17(14)20-18/h5-11,16H,3-4H2,1-2H3
InChIKeyUFIWNXRMEHAHPV-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.25
Rot. Bonds3

About 2,4-diethyl-9H-xanthene-9-carbaldehyde

2,4-diethyl-9H-xanthene-9-carbaldehyde (PubChem CID 174679590) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,4-diethyl-9H-xanthene-9-carbaldehyde.

Molecular Properties

Compound Name2,4-diethyl-9H-xanthene-9-carbaldehyde
PubChem CID174679590
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2,4-diethyl-9H-xanthene-9-carbaldehyde
SMILESCCc1cc(CC)c2c(c1)C(C=O)c1ccccc1O2
InChIInChI=1S/C18H18O2/c1-3-12-9-13(4-2)18-15(10-12)16(11-19)14-7-5-6-8-17(14)20-18/h5-11,16H,3-4H2,1-2H3
InChIKeyUFIWNXRMEHAHPV-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.25
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

4-hydroxy-9H-xanthene-9-carbaldehyde
CID 174562050
3-(3,5-difluorophenyl)-2-ethyl-4H-chromene-4-carbaldehyde
CID 174801175
(11S)-2-ethyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carbaldehyde
CID 129362706
2-ethyl-3-(3-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174665888
2-ethyl-3-(4-fluorophenyl)-4H-chromene-4-carbaldehyde
CID 174678006
9-methyl-7H-benzo[c]xanthene-7-carbaldehyde
CID 175020806
9-(2,3-diethylphenyl)-9H-xanthene
CID 67026470
2-benzylidene-3H-1-benzofuran-3-carbaldehyde
CID 174224759
2-propyl-9H-thioxanthene-9-carbaldehyde
CID 175323536
(9S,10R)-2,3-dimethyl-9,10-dihydroanthracene-9,10-dicarbaldehyde
CID 129386230
9H-fluorene-9-carbaldehyde
CID 11074281
[4-[3-(3-fluorophenyl)-4-formyl-4H-chromen-2-yl]phenyl]methanesulfinate
CID 174375895

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-9H-xanthene-9-carbaldehyde?
The IUPAC name of 2,4-diethyl-9H-xanthene-9-carbaldehyde (CID 174679590) is 2,4-diethyl-9H-xanthene-9-carbaldehyde.
What is the SMILES notation for 2,4-diethyl-9H-xanthene-9-carbaldehyde?
The canonical SMILES for 2,4-diethyl-9H-xanthene-9-carbaldehyde is CCc1cc(CC)c2c(c1)C(C=O)c1ccccc1O2.
What is the InChIKey of 2,4-diethyl-9H-xanthene-9-carbaldehyde?
The InChIKey is UFIWNXRMEHAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-12-9-13(4-2)18-15(10-12)16(11-19)14-7-5-6-8-17(14)20-18/h5-11,16H,3-4H2,1-2H3.
What are the key properties of 2,4-diethyl-9H-xanthene-9-carbaldehyde?
2,4-diethyl-9H-xanthene-9-carbaldehyde has a molecular weight of 266.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-9H-xanthene-9-carbaldehyde is sourced from PubChem (CID 174679590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).