methane;1-phenylpropan-1-one

C10H14O — CID 67638055

IUPACmethane;1-phenylpropan-1-one
SMILESC.CCC(=O)c1ccccc1
InChIInChI=1S/C9H10O.CH4/c1-2-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H4
InChIKeyNXJOZAWUMIJOLY-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.92
Rot. Bonds2

About methane;1-phenylpropan-1-one

methane;1-phenylpropan-1-one (PubChem CID 67638055) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is methane;1-phenylpropan-1-one.

Molecular Properties

Compound Namemethane;1-phenylpropan-1-one
PubChem CID67638055
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Namemethane;1-phenylpropan-1-one
SMILESC.CCC(=O)c1ccccc1
InChIInChI=1S/C9H10O.CH4/c1-2-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H4
InChIKeyNXJOZAWUMIJOLY-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
N,N-dimethylmethanamine;1-phenylpropan-1-one
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 methane;1-phenylpropan-1-one?
The IUPAC name of methane;1-phenylpropan-1-one (CID 67638055) is methane;1-phenylpropan-1-one.
What is the SMILES notation for methane;1-phenylpropan-1-one?
The canonical SMILES for methane;1-phenylpropan-1-one is C.CCC(=O)c1ccccc1.
What is the InChIKey of methane;1-phenylpropan-1-one?
The InChIKey is NXJOZAWUMIJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.CH4/c1-2-9(10)8-6-4-3-5-7-8;/h3-7H,2H2,1H3;1H4.
What are the key properties of methane;1-phenylpropan-1-one?
methane;1-phenylpropan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-phenylpropan-1-one is sourced from PubChem (CID 67638055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).