2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate

C15H10O4 — CID 21445018

IUPAC2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate
SMILESO.O=CC(=O)C1=c2ccccc2=C2C=CC(=O)C=C21
InChIInChI=1S/C15H8O3.H2O/c16-8-14(18)15-12-4-2-1-3-10(12)11-6-5-9(17)7-13(11)15;/h1-8H;1H2
InChIKeyFDEMMUZHEBQAKH-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.99
Rot. Bonds2

About 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate

2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate (PubChem CID 21445018) has the molecular formula C15H10O4 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate.

Molecular Properties

Compound Name2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate
PubChem CID21445018
Molecular FormulaC15H10O4
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate
SMILESO.O=CC(=O)C1=c2ccccc2=C2C=CC(=O)C=C21
InChIInChI=1S/C15H8O3.H2O/c16-8-14(18)15-12-4-2-1-3-10(12)11-6-5-9(17)7-13(11)15;/h1-8H;1H2
InChIKeyFDEMMUZHEBQAKH-UHFFFAOYSA-N
XLogP-0.99
TPSA82.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxaldehydoylbenzamide
CID 146295366
2-[2-(2-oxaldehydoylphenyl)sulfanylphenyl]-2-oxoacetaldehyde
CID 88759988
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
N-formyl-N-[2-(2-oxaldehydoylphenyl)-2-oxoethyl]formamide
CID 91482793
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
CID 174414961
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
octakis(2-[4-(4-oxaldehydoylphenyl)phenyl]-2-oxoacetaldehyde);pentahydrate
CID 173440515
2-(3-phenylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 174765113
N-(4-oxo-2-phenylcyclohexa-2,5-dien-1-ylidene)acetamide
CID 90236585
2-(3-bromo-2-benzofuran-1-yl)-2-oxoacetaldehyde
CID 174746611
4-[(benzhydrylideneamino)methylidene]cyclohexa-2,5-dien-1-one
CID 58611409
cyclohexa-2,5-diene-1,4-dione;phenol
CID 67783364

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate?
The IUPAC name of 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate (CID 21445018) is 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate.
What is the SMILES notation for 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate?
The canonical SMILES for 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate is O.O=CC(=O)C1=c2ccccc2=C2C=CC(=O)C=C21.
What is the InChIKey of 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate?
The InChIKey is FDEMMUZHEBQAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O3.H2O/c16-8-14(18)15-12-4-2-1-3-10(12)11-6-5-9(17)7-13(11)15;/h1-8H;1H2.
What are the key properties of 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate?
2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate has a molecular weight of 254.24 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-oxofluoren-9-yl)acetaldehyde;hydrate is sourced from PubChem (CID 21445018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).