2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde

C20H22O2 — CID 174853757

IUPAC2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde
SMILESCCCCOCC1(CC=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O2/c1-2-3-14-22-15-20(12-13-21)18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,13H,2-3,12,14-15H2,1H3
InChIKeyZPMQQAGPTMERLZ-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.36
Rot. Bonds7

About 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde

2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde (PubChem CID 174853757) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde.

Molecular Properties

Compound Name2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde
PubChem CID174853757
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde
SMILESCCCCOCC1(CC=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H22O2/c1-2-3-14-22-15-20(12-13-21)18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,13H,2-3,12,14-15H2,1H3
InChIKeyZPMQQAGPTMERLZ-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde?
The IUPAC name of 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde (CID 174853757) is 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde.
What is the SMILES notation for 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde?
The canonical SMILES for 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde is CCCCOCC1(CC=O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde?
The InChIKey is ZPMQQAGPTMERLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-2-3-14-22-15-20(12-13-21)18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,13H,2-3,12,14-15H2,1H3.
What are the key properties of 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde?
2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde has a molecular weight of 294.39 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde is sourced from PubChem (CID 174853757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).