1-phenylpropan-1-one;zirconium

C9H10OZr — CID 173295106

IUPAC1-phenylpropan-1-one;zirconium
SMILESCCC(=O)c1ccccc1.[Zr]
InChIInChI=1S/C9H10O.Zr/c1-2-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;
InChIKeyODZSYBKKVFAMLM-UHFFFAOYSA-N
MW225.40 g/mol
LogP2.28
Rot. Bonds2

About 1-phenylpropan-1-one;zirconium

1-phenylpropan-1-one;zirconium (PubChem CID 173295106) has the molecular formula C9H10OZr and a molecular weight of 225.40 g/mol. Its IUPAC name is 1-phenylpropan-1-one;zirconium.

Molecular Properties

Compound Name1-phenylpropan-1-one;zirconium
PubChem CID173295106
Molecular FormulaC9H10OZr
Molecular Weight225.40 g/mol
Exact Mass223.98
IUPAC Name1-phenylpropan-1-one;zirconium
SMILESCCC(=O)c1ccccc1.[Zr]
InChIInChI=1S/C9H10O.Zr/c1-2-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;
InChIKeyODZSYBKKVFAMLM-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl(111C)propan-1-one
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methane;1-phenylpropan-1-one
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CID 174454319
(E)-but-2-enedioic acid;1-phenylpropan-1-one
CID 172758330
ethane;methane;3-methylbut-3-en-2-one;1-phenylpropan-1-one
CID 161480894
anisole;1-phenylpropan-1-one;propan-2-one
CID 174786879
1-(4-phenylselanylphenyl)propan-1-one
CID 18984785
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
CID 175125540
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144
1-phenylbutan-1-one
CID 10315

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-1-one;zirconium?
The IUPAC name of 1-phenylpropan-1-one;zirconium (CID 173295106) is 1-phenylpropan-1-one;zirconium.
What is the SMILES notation for 1-phenylpropan-1-one;zirconium?
The canonical SMILES for 1-phenylpropan-1-one;zirconium is CCC(=O)c1ccccc1.[Zr].
What is the InChIKey of 1-phenylpropan-1-one;zirconium?
The InChIKey is ODZSYBKKVFAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.Zr/c1-2-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;.
What are the key properties of 1-phenylpropan-1-one;zirconium?
1-phenylpropan-1-one;zirconium has a molecular weight of 225.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-1-one;zirconium is sourced from PubChem (CID 173295106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).