1-[3-(2-methylphenoxy)phenyl]propan-1-one

C16H16O2 — CID 114079071

IUPAC1-[3-(2-methylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Oc2ccccc2C)c1
InChIInChI=1S/C16H16O2/c1-3-15(17)13-8-6-9-14(11-13)18-16-10-5-4-7-12(16)2/h4-11H,3H2,1-2H3
InChIKeyOZBXLOMKCKCSMQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.38
Rot. Bonds4

About 1-[3-(2-methylphenoxy)phenyl]propan-1-one

1-[3-(2-methylphenoxy)phenyl]propan-1-one (PubChem CID 114079071) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[3-(2-methylphenoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylphenoxy)phenyl]propan-1-one
PubChem CID114079071
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[3-(2-methylphenoxy)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Oc2ccccc2C)c1
InChIInChI=1S/C16H16O2/c1-3-15(17)13-8-6-9-14(11-13)18-16-10-5-4-7-12(16)2/h4-11H,3H2,1-2H3
InChIKeyOZBXLOMKCKCSMQ-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-naphthalen-1-yloxyphenyl)propan-1-one
CID 22660295
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
CID 114065883
copper bis(1-(3-phenoxyphenyl)pentane-1,3-dione)
CID 71565696
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
methane;1-phenylpropan-1-one
CID 67638055
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864
(2-methylphenyl) 3-butoxybenzoate
CID 23012315

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenoxy)phenyl]propan-1-one?
The IUPAC name of 1-[3-(2-methylphenoxy)phenyl]propan-1-one (CID 114079071) is 1-[3-(2-methylphenoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2-methylphenoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(2-methylphenoxy)phenyl]propan-1-one is CCC(=O)c1cccc(Oc2ccccc2C)c1.
What is the InChIKey of 1-[3-(2-methylphenoxy)phenyl]propan-1-one?
The InChIKey is OZBXLOMKCKCSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-3-15(17)13-8-6-9-14(11-13)18-16-10-5-4-7-12(16)2/h4-11H,3H2,1-2H3.
What are the key properties of 1-[3-(2-methylphenoxy)phenyl]propan-1-one?
1-[3-(2-methylphenoxy)phenyl]propan-1-one has a molecular weight of 240.30 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenoxy)phenyl]propan-1-one is sourced from PubChem (CID 114079071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).