4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde

C24H29NO4 — CID 174370895

IUPAC4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
SMILESCCCOc1cccc2c1-c1c(OCCCN3CCOCC3)cccc1C2C=O
InChIInChI=1S/C24H29NO4/c1-2-13-28-21-8-3-6-18-20(17-26)19-7-4-9-22(24(19)23(18)21)29-14-5-10-25-11-15-27-16-12-25/h3-4,6-9,17,20H,2,5,10-16H2,1H3
InChIKeyMWJJICDIVFAFFN-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.89
Rot. Bonds9

About 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde

4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde (PubChem CID 174370895) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
PubChem CID174370895
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
SMILESCCCOc1cccc2c1-c1c(OCCCN3CCOCC3)cccc1C2C=O
InChIInChI=1S/C24H29NO4/c1-2-13-28-21-8-3-6-18-20(17-26)19-7-4-9-22(24(19)23(18)21)29-14-5-10-25-11-15-27-16-12-25/h3-4,6-9,17,20H,2,5,10-16H2,1H3
InChIKeyMWJJICDIVFAFFN-UHFFFAOYSA-N
XLogP3.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2,4-diethoxy-5-(3-piperidin-1-ylpropoxy)-9H-fluorene-9-carbaldehyde
CID 174399119
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
CID 2994248
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290
3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
CID 71420401
2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
CID 170670674
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde?
The IUPAC name of 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde (CID 174370895) is 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde is CCCOc1cccc2c1-c1c(OCCCN3CCOCC3)cccc1C2C=O.
What is the InChIKey of 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde?
The InChIKey is MWJJICDIVFAFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-2-13-28-21-8-3-6-18-20(17-26)19-7-4-9-22(24(19)23(18)21)29-14-5-10-25-11-15-27-16-12-25/h3-4,6-9,17,20H,2,5,10-16H2,1H3.
What are the key properties of 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde?
4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde has a molecular weight of 395.50 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 174370895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).