2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde

C24H24O2 — CID 123454794

IUPAC2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde
SMILESO=CCC12CCC3(CCO)C4(c5ccccc5-c5ccccc54)C13CC2
InChIInChI=1S/C24H24O2/c25-15-13-21-9-11-22(14-16-26)23(21,12-10-21)24(22)19-7-3-1-5-17(19)18-6-2-4-8-20(18)24/h1-8,15,26H,9-14,16H2
InChIKeyAQPMAQMWUJAWAJ-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.48
Rot. Bonds4

About 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde

2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde (PubChem CID 123454794) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde
PubChem CID123454794
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde
SMILESO=CCC12CCC3(CCO)C4(c5ccccc5-c5ccccc54)C13CC2
InChIInChI=1S/C24H24O2/c25-15-13-21-9-11-22(14-16-26)23(21,12-10-21)24(22)19-7-3-1-5-17(19)18-6-2-4-8-20(18)24/h1-8,15,26H,9-14,16H2
InChIKeyAQPMAQMWUJAWAJ-UHFFFAOYSA-N
XLogP4.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde with MolForge

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Related Compounds

[4-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,9'-fluorene]-1-yl]methanol
CID 58112679
2-(9-prop-2-enylfluoren-9-yl)ethanol
CID 11391058
4-(2-hydroxyethyl)-2,3-dihydrochromene-4-carbaldehyde
CID 131187353
2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione
CID 114757379
2-[1-(2-bromophenyl)cyclobutyl]ethanol
CID 83693368
3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
1,1,3,3-tetramethylspiro[cyclobutane-2,9'-fluorene]
CID 153467797
(9-aminofluoren-9-yl)methanol
CID 163585930
2-[9-(butoxymethyl)fluoren-9-yl]acetaldehyde
CID 174853757

Frequently Asked Questions

What is the IUPAC name of 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde?
The IUPAC name of 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde (CID 123454794) is 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde.
What is the SMILES notation for 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde?
The canonical SMILES for 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde is O=CCC12CCC3(CCO)C4(c5ccccc5-c5ccccc54)C13CC2.
What is the InChIKey of 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde?
The InChIKey is AQPMAQMWUJAWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c25-15-13-21-9-11-22(14-16-26)23(21,12-10-21)24(22)19-7-3-1-5-17(19)18-6-2-4-8-20(18)24/h1-8,15,26H,9-14,16H2.
What are the key properties of 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde?
2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde has a molecular weight of 344.45 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3'-(2-hydroxyethyl)spiro[fluorene-9,2'-tricyclo[4.2.0.01,3]octane]-6'-yl]acetaldehyde is sourced from PubChem (CID 123454794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).