fluoren-9-one;4-methylbenzaldehyde

C21H16O2 — CID 19356892

IUPACfluoren-9-one;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H8O.C8H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-7-2-4-8(6-9)5-3-7/h1-8H;2-6H,1H3
InChIKeyZPRGBEGJWYQMSK-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.71
Rot. Bonds1

About fluoren-9-one;4-methylbenzaldehyde

fluoren-9-one;4-methylbenzaldehyde (PubChem CID 19356892) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is fluoren-9-one;4-methylbenzaldehyde.

Molecular Properties

Compound Namefluoren-9-one;4-methylbenzaldehyde
PubChem CID19356892
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Namefluoren-9-one;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C13H8O.C8H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-7-2-4-8(6-9)5-3-7/h1-8H;2-6H,1H3
InChIKeyZPRGBEGJWYQMSK-UHFFFAOYSA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoren-9-one;4-methylbenzaldehyde?
The IUPAC name of fluoren-9-one;4-methylbenzaldehyde (CID 19356892) is fluoren-9-one;4-methylbenzaldehyde.
What is the SMILES notation for fluoren-9-one;4-methylbenzaldehyde?
The canonical SMILES for fluoren-9-one;4-methylbenzaldehyde is Cc1ccc(C=O)cc1.O=C1c2ccccc2-c2ccccc21.
What is the InChIKey of fluoren-9-one;4-methylbenzaldehyde?
The InChIKey is ZPRGBEGJWYQMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C8H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-7-2-4-8(6-9)5-3-7/h1-8H;2-6H,1H3.
What are the key properties of fluoren-9-one;4-methylbenzaldehyde?
fluoren-9-one;4-methylbenzaldehyde has a molecular weight of 300.36 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoren-9-one;4-methylbenzaldehyde is sourced from PubChem (CID 19356892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).