molecular hydrogen;1-phenylbutan-1-one

C10H14O — CID 142208814

IUPACmolecular hydrogen;1-phenylbutan-1-one
SMILESCCCC(=O)c1ccccc1.[H][H]
InChIInChI=1S/C10H12O.H2/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H
InChIKeyONYCUIPNHUZCFT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.92
Rot. Bonds3

About molecular hydrogen;1-phenylbutan-1-one

molecular hydrogen;1-phenylbutan-1-one (PubChem CID 142208814) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is molecular hydrogen;1-phenylbutan-1-one.

Molecular Properties

Compound Namemolecular hydrogen;1-phenylbutan-1-one
PubChem CID142208814
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namemolecular hydrogen;1-phenylbutan-1-one
SMILESCCCC(=O)c1ccccc1.[H][H]
InChIInChI=1S/C10H12O.H2/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H
InChIKeyONYCUIPNHUZCFT-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylbutan-1-one
CID 10315
1-phenylbutan-1-one;hydrobromide
CID 139638507
methanethiol;1-phenylbutan-1-one
CID 143799522
butanoic acid;2-hydroxy-1-phenylethanone
CID 175969128
ethane;1-phenylpentan-1-one
CID 143728184
1-phenylheptadecan-1-one
CID 577626
1-phenyl(111C)propan-1-one
CID 11159350
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1-phenylnonane-1,4-dione
CID 570990
1,15-diphenylpentadecane-1,15-dione
CID 159981687
methane;1-phenylpropan-1-one
CID 67638055
1-phenylpropan-1-one;zirconium
CID 173295106

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-phenylbutan-1-one?
The IUPAC name of molecular hydrogen;1-phenylbutan-1-one (CID 142208814) is molecular hydrogen;1-phenylbutan-1-one.
What is the SMILES notation for molecular hydrogen;1-phenylbutan-1-one?
The canonical SMILES for molecular hydrogen;1-phenylbutan-1-one is CCCC(=O)c1ccccc1.[H][H].
What is the InChIKey of molecular hydrogen;1-phenylbutan-1-one?
The InChIKey is ONYCUIPNHUZCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.H2/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8H,2,6H2,1H3;1H.
What are the key properties of molecular hydrogen;1-phenylbutan-1-one?
molecular hydrogen;1-phenylbutan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-phenylbutan-1-one is sourced from PubChem (CID 142208814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).