7-acetyl-9-oxofluorene-2-carbaldehyde;ethane

C20H22O3 — CID 145345523

IUPAC7-acetyl-9-oxofluorene-2-carbaldehyde;ethane
SMILESCC.CC.CC(=O)c1ccc2c(c1)C(=O)c1cc(C=O)ccc1-2
InChIInChI=1S/C16H10O3.2C2H6/c1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16(19)15(13)7-11;2*1-2/h2-8H,1H3;2*1-2H3
InChIKeyBAHWNENMVIXGIE-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.97
Rot. Bonds2

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

7-acetyl-9-oxofluorene-2-carbaldehyde;ethane (PubChem CID 145345523) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane.

Molecular Properties

Compound Name7-acetyl-9-oxofluorene-2-carbaldehyde;ethane
PubChem CID145345523
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name7-acetyl-9-oxofluorene-2-carbaldehyde;ethane
SMILESCC.CC.CC(=O)c1ccc2c(c1)C(=O)c1cc(C=O)ccc1-2
InChIInChI=1S/C16H10O3.2C2H6/c1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16(19)15(13)7-11;2*1-2/h2-8H,1H3;2*1-2H3
InChIKeyBAHWNENMVIXGIE-UHFFFAOYSA-N
XLogP4.97
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.97
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
CID 145345524
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;ethane?
The IUPAC name of 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane (CID 145345523) is 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane.
What is the SMILES notation for 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane?
The canonical SMILES for 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane is CC.CC.CC(=O)c1ccc2c(c1)C(=O)c1cc(C=O)ccc1-2.
What is the InChIKey of 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane?
The InChIKey is BAHWNENMVIXGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3.2C2H6/c1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16(19)15(13)7-11;2*1-2/h2-8H,1H3;2*1-2H3.
What are the key properties of 7-acetyl-9-oxofluorene-2-carbaldehyde;ethane?
7-acetyl-9-oxofluorene-2-carbaldehyde;ethane has a molecular weight of 310.39 g/mol, XLogP of 4.97, 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;ethane is sourced from PubChem (CID 145345523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).