1-(2-methylphenyl)ethanone;1-phenylethanone

C17H18O2 — CID 160893925

IUPAC1-(2-methylphenyl)ethanone;1-phenylethanone
SMILESCC(=O)c1ccccc1.CC(=O)c1ccccc1C
InChIInChI=1S/C9H10O.C8H8O/c1-7-5-3-4-6-9(7)8(2)10;1-7(9)8-5-3-2-4-6-8/h3-6H,1-2H3;2-6H,1H3
InChIKeySOPWVGONQACTME-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.09
Rot. Bonds2

About 1-(2-methylphenyl)ethanone;1-phenylethanone

1-(2-methylphenyl)ethanone;1-phenylethanone (PubChem CID 160893925) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)ethanone;1-phenylethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)ethanone;1-phenylethanone
PubChem CID160893925
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-(2-methylphenyl)ethanone;1-phenylethanone
SMILESCC(=O)c1ccccc1.CC(=O)c1ccccc1C
InChIInChI=1S/C9H10O.C8H8O/c1-7-5-3-4-6-9(7)8(2)10;1-7(9)8-5-3-2-4-6-8/h3-6H,1-2H3;2-6H,1H3
InChIKeySOPWVGONQACTME-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylphenyl)ethanone;1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-(2-methylphenyl)ethanone
CID 91374073
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
ethane;methoxymethane;1-(2-methylphenyl)ethanone
CID 90975384
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
1-phenylethanone;hydrate;hydrochloride
CID 21258111

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)ethanone;1-phenylethanone?
The IUPAC name of 1-(2-methylphenyl)ethanone;1-phenylethanone (CID 160893925) is 1-(2-methylphenyl)ethanone;1-phenylethanone.
What is the SMILES notation for 1-(2-methylphenyl)ethanone;1-phenylethanone?
The canonical SMILES for 1-(2-methylphenyl)ethanone;1-phenylethanone is CC(=O)c1ccccc1.CC(=O)c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)ethanone;1-phenylethanone?
The InChIKey is SOPWVGONQACTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H8O/c1-7-5-3-4-6-9(7)8(2)10;1-7(9)8-5-3-2-4-6-8/h3-6H,1-2H3;2-6H,1H3.
What are the key properties of 1-(2-methylphenyl)ethanone;1-phenylethanone?
1-(2-methylphenyl)ethanone;1-phenylethanone has a molecular weight of 254.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)ethanone;1-phenylethanone is sourced from PubChem (CID 160893925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).