benzaldehyde;oxophosphane;1,3,5-trimethylbenzene

C16H19O2P — CID 174455120

IUPACbenzaldehyde;oxophosphane;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=Cc1ccccc1.O=P
InChIInChI=1S/C9H12.C7H6O.HOP/c1-7-4-8(2)6-9(3)5-7;8-6-7-4-2-1-3-5-7;1-2/h4-6H,1-3H3;1-6H;2H
InChIKeyYXHKTPUFONZVAD-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.59
Rot. Bonds1

About benzaldehyde;oxophosphane;1,3,5-trimethylbenzene

benzaldehyde;oxophosphane;1,3,5-trimethylbenzene (PubChem CID 174455120) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is benzaldehyde;oxophosphane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namebenzaldehyde;oxophosphane;1,3,5-trimethylbenzene
PubChem CID174455120
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namebenzaldehyde;oxophosphane;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=Cc1ccccc1.O=P
InChIInChI=1S/C9H12.C7H6O.HOP/c1-7-4-8(2)6-9(3)5-7;8-6-7-4-2-1-3-5-7;1-2/h4-6H,1-3H3;1-6H;2H
InChIKeyYXHKTPUFONZVAD-UHFFFAOYSA-N
XLogP4.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzaldehyde;oxophosphane;1,3,5-trimethylbenzene?
The IUPAC name of benzaldehyde;oxophosphane;1,3,5-trimethylbenzene (CID 174455120) is benzaldehyde;oxophosphane;1,3,5-trimethylbenzene.
What is the SMILES notation for benzaldehyde;oxophosphane;1,3,5-trimethylbenzene?
The canonical SMILES for benzaldehyde;oxophosphane;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.O=Cc1ccccc1.O=P.
What is the InChIKey of benzaldehyde;oxophosphane;1,3,5-trimethylbenzene?
The InChIKey is YXHKTPUFONZVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C7H6O.HOP/c1-7-4-8(2)6-9(3)5-7;8-6-7-4-2-1-3-5-7;1-2/h4-6H,1-3H3;1-6H;2H.
What are the key properties of benzaldehyde;oxophosphane;1,3,5-trimethylbenzene?
benzaldehyde;oxophosphane;1,3,5-trimethylbenzene has a molecular weight of 274.30 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;oxophosphane;1,3,5-trimethylbenzene is sourced from PubChem (CID 174455120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).