(2-methylphenoxy)methanone

C8H7O2- — CID 20594594

IUPAC(2-methylphenoxy)methanone
SMILESCc1ccccc1O[C-]=O
InChIInChI=1S/C8H7O2/c1-7-4-2-3-5-8(7)10-6-9/h2-5H,1H3/q-1
InChIKeyIYIKIUFVAIJJCU-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.44
Rot. Bonds2

About (2-methylphenoxy)methanone

(2-methylphenoxy)methanone (PubChem CID 20594594) has the molecular formula C8H7O2- and a molecular weight of 135.14 g/mol. Its IUPAC name is (2-methylphenoxy)methanone.

Molecular Properties

Compound Name(2-methylphenoxy)methanone
PubChem CID20594594
Molecular FormulaC8H7O2-
Molecular Weight135.14 g/mol
Exact Mass135.05
IUPAC Name(2-methylphenoxy)methanone
SMILESCc1ccccc1O[C-]=O
InChIInChI=1S/C8H7O2/c1-7-4-2-3-5-8(7)10-6-9/h2-5H,1H3/q-1
InChIKeyIYIKIUFVAIJJCU-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (2-methylphenoxy)methanone 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-methyl-2-(2-methylphenoxy)benzene
CID 90755051
tris(2-methylphenyl) phosphite dichloride
CID 23333528
CID 174515144
CID 174515144
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
hydroxy-(2-methylphenoxy)-oxosilane
CID 21318177
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
1,2-xylene
CID 173422016
1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
CID 174286143
CID 174286143
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920

Frequently Asked Questions

What is the IUPAC name of (2-methylphenoxy)methanone?
The IUPAC name of (2-methylphenoxy)methanone (CID 20594594) is (2-methylphenoxy)methanone.
What is the SMILES notation for (2-methylphenoxy)methanone?
The canonical SMILES for (2-methylphenoxy)methanone is Cc1ccccc1O[C-]=O.
What is the InChIKey of (2-methylphenoxy)methanone?
The InChIKey is IYIKIUFVAIJJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2/c1-7-4-2-3-5-8(7)10-6-9/h2-5H,1H3/q-1.
What are the key properties of (2-methylphenoxy)methanone?
(2-methylphenoxy)methanone has a molecular weight of 135.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenoxy)methanone is sourced from PubChem (CID 20594594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).