4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde

C21H18O — CID 24859691

IUPAC4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O
InChIInChI=1S/C21H18O/c1-14-10-15(6-7-18(14)13-22)16-8-9-21-19(11-16)12-17-4-2-3-5-20(17)21/h2-9,11,13-14H,10,12H2,1H3
InChIKeyUXSKNNGHSXJERJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.81
Rot. Bonds2

About 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde

4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859691) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859691
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O
InChIInChI=1S/C21H18O/c1-14-10-15(6-7-18(14)13-22)16-8-9-21-19(11-16)12-17-4-2-3-5-20(17)21/h2-9,11,13-14H,10,12H2,1H3
InChIKeyUXSKNNGHSXJERJ-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859691) is 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde is CC1CC(c2ccc3c(c2)Cc2ccccc2-3)=CC=C1C=O.
What is the InChIKey of 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is UXSKNNGHSXJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-14-10-15(6-7-18(14)13-22)16-8-9-21-19(11-16)12-17-4-2-3-5-20(17)21/h2-9,11,13-14H,10,12H2,1H3.
What are the key properties of 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 286.37 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).