1-(3-methylphenyl)-3-phenoxypropan-1-one

C16H16O2 — CID 60798241

IUPAC1-(3-methylphenyl)-3-phenoxypropan-1-one
SMILESCc1cccc(C(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-13-6-5-7-14(12-13)16(17)10-11-18-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
InChIKeyLANHSRFBPWMBTJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-methylphenyl)-3-phenoxypropan-1-one

1-(3-methylphenyl)-3-phenoxypropan-1-one (PubChem CID 60798241) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-phenoxypropan-1-one
PubChem CID60798241
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-(3-methylphenyl)-3-phenoxypropan-1-one
SMILESCc1cccc(C(=O)CCOc2ccccc2)c1
InChIInChI=1S/C16H16O2/c1-13-6-5-7-14(12-13)16(17)10-11-18-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3
InChIKeyLANHSRFBPWMBTJ-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-methyl-3-pyridinyl)-3-phenoxypropan-1-one
CID 115373880
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
1-(2-chlorophenyl)-3-(3-methylphenoxy)propan-1-one
CID 105081455
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
1-(3-methylphenyl)butan-1-one
CID 4304992
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
1-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096503

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(3-methylphenyl)-3-phenoxypropan-1-one (CID 60798241) is 1-(3-methylphenyl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(3-methylphenyl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(3-methylphenyl)-3-phenoxypropan-1-one is Cc1cccc(C(=O)CCOc2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-phenoxypropan-1-one?
The InChIKey is LANHSRFBPWMBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-13-6-5-7-14(12-13)16(17)10-11-18-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-phenoxypropan-1-one?
1-(3-methylphenyl)-3-phenoxypropan-1-one has a molecular weight of 240.30 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-phenoxypropan-1-one is sourced from PubChem (CID 60798241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).