7-acetyl-9-oxofluorene-2-carbaldehyde

C16H10O3 — CID 145345524

IUPAC7-acetyl-9-oxofluorene-2-carbaldehyde
SMILESCC(=O)c1ccc2c(c1)C(=O)c1cc(C=O)ccc1-2
InChIInChI=1S/C16H10O3/c1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16(19)15(13)7-11/h2-8H,1H3
InChIKeyICURPFXNTIBTTA-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.91
Rot. Bonds2

About 7-acetyl-9-oxofluorene-2-carbaldehyde

7-acetyl-9-oxofluorene-2-carbaldehyde (PubChem CID 145345524) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 7-acetyl-9-oxofluorene-2-carbaldehyde.

Molecular Properties

Compound Name7-acetyl-9-oxofluorene-2-carbaldehyde
PubChem CID145345524
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name7-acetyl-9-oxofluorene-2-carbaldehyde
SMILESCC(=O)c1ccc2c(c1)C(=O)c1cc(C=O)ccc1-2
InChIInChI=1S/C16H10O3/c1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16(19)15(13)7-11/h2-8H,1H3
InChIKeyICURPFXNTIBTTA-UHFFFAOYSA-N
XLogP2.91
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-acetyl-9-oxofluorene-2-carbaldehyde;ethane
CID 145345523
6-bromo-9-oxofluorene-2-carbaldehyde
CID 15661410
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
4-[2-[2,4,5-tris[2-(4-acetylphenyl)phenyl]phenyl]phenyl]benzaldehyde
CID 59789089
CID 139244857
CID 139244857
1-(3,8-dimethylazulen-5-yl)ethanone
CID 15109166
5,7-dihydroxy-9,10-dioxoanthracene-2-carbaldehyde
CID 143619617
2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one
CID 15888532
3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde
CID 146390057
1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone
CID 46502063
9-methylidenefluorene-2,7-dicarbaldehyde
CID 89093906
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-9-oxofluorene-2-carbaldehyde?
The IUPAC name of 7-acetyl-9-oxofluorene-2-carbaldehyde (CID 145345524) is 7-acetyl-9-oxofluorene-2-carbaldehyde.
What is the SMILES notation for 7-acetyl-9-oxofluorene-2-carbaldehyde?
The canonical SMILES for 7-acetyl-9-oxofluorene-2-carbaldehyde is CC(=O)c1ccc2c(c1)C(=O)c1cc(C=O)ccc1-2.
What is the InChIKey of 7-acetyl-9-oxofluorene-2-carbaldehyde?
The InChIKey is ICURPFXNTIBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16(19)15(13)7-11/h2-8H,1H3.
What are the key properties of 7-acetyl-9-oxofluorene-2-carbaldehyde?
7-acetyl-9-oxofluorene-2-carbaldehyde has a molecular weight of 250.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-9-oxofluorene-2-carbaldehyde is sourced from PubChem (CID 145345524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).