2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde

C15H12O3 — CID 153186343

IUPAC2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde
SMILESCc1ccc(Oc2ccc(C(=O)C=O)cc2)cc1
InChIInChI=1S/C15H12O3/c1-11-2-6-13(7-3-11)18-14-8-4-12(5-9-14)15(17)10-16/h2-10H,1H3
InChIKeyWHDQHUPWFUPATL-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.17
Rot. Bonds4

About 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde

2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde (PubChem CID 153186343) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde
PubChem CID153186343
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde
SMILESCc1ccc(Oc2ccc(C(=O)C=O)cc2)cc1
InChIInChI=1S/C15H12O3/c1-11-2-6-13(7-3-11)18-14-8-4-12(5-9-14)15(17)10-16/h2-10H,1H3
InChIKeyWHDQHUPWFUPATL-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.17
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-[4-[4-(4-oxaldehydoylphenoxy)phenoxy]phenyl]-2-oxoacetaldehyde
CID 102006088
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]phenyl]phenoxy]phenyl]ethanone
CID 126710300
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
2-(6-methylnaphthalen-2-yl)-2-oxoacetaldehyde
CID 15032601
octakis(2-[4-(4-oxaldehydoylphenyl)phenyl]-2-oxoacetaldehyde);pentahydrate
CID 173440515
1-methyl-4-(4-prop-1-en-2-ylphenoxy)benzene
CID 147989654
(E)-1-(4-methylphenyl)-3-(4-phenoxyanilino)prop-2-en-1-one
CID 17088000
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1,4-dioxane;1-(4-methylphenyl)ethanone;2-(4-methylphenyl)-2-oxoacetaldehyde;hydrate
CID 159029353

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde?
The IUPAC name of 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde (CID 153186343) is 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde is Cc1ccc(Oc2ccc(C(=O)C=O)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde?
The InChIKey is WHDQHUPWFUPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-11-2-6-13(7-3-11)18-14-8-4-12(5-9-14)15(17)10-16/h2-10H,1H3.
What are the key properties of 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde?
2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde has a molecular weight of 240.26 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenyl]-2-oxoacetaldehyde is sourced from PubChem (CID 153186343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).