(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone

C12H11Cl3O2 — CID 105349156

IUPAC(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone
SMILESCC1CC(C(=O)c2c(Cl)cc(Cl)cc2Cl)CO1
InChIInChI=1S/C12H11Cl3O2/c1-6-2-7(5-17-6)12(16)11-9(14)3-8(13)4-10(11)15/h3-4,6-7H,2,5H2,1H3
InChIKeySKVIEVLMJQEEKJ-UHFFFAOYSA-N
MW293.58 g/mol
LogP4.25
Rot. Bonds2

About (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone

(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone (PubChem CID 105349156) has the molecular formula C12H11Cl3O2 and a molecular weight of 293.58 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone
PubChem CID105349156
Molecular FormulaC12H11Cl3O2
Molecular Weight293.58 g/mol
Exact Mass291.98
IUPAC Name(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone
SMILESCC1CC(C(=O)c2c(Cl)cc(Cl)cc2Cl)CO1
InChIInChI=1S/C12H11Cl3O2/c1-6-2-7(5-17-6)12(16)11-9(14)3-8(13)4-10(11)15/h3-4,6-7H,2,5H2,1H3
InChIKeySKVIEVLMJQEEKJ-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)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

(5-bromo-4-chlorothiophen-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114824826
(2-chloro-4,5-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 107475700
(2-bromo-4,6-dimethoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114824821
(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824695
(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methanone
CID 114824778
2-(2-chlorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114825779
(4-iodophenyl)-(5-methyloxolan-3-yl)methanone
CID 114824694
(3S,5S)-5-methyloxolane-3-carboxylic acid
CID 97300455
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(5-methyloxolan-3-yl)-(1H-pyrrol-2-yl)methanone
CID 114824797
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone?
The IUPAC name of (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone (CID 105349156) is (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone.
What is the SMILES notation for (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone?
The canonical SMILES for (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone is CC1CC(C(=O)c2c(Cl)cc(Cl)cc2Cl)CO1.
What is the InChIKey of (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone?
The InChIKey is SKVIEVLMJQEEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3O2/c1-6-2-7(5-17-6)12(16)11-9(14)3-8(13)4-10(11)15/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone?
(5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone has a molecular weight of 293.58 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-(2,4,6-trichlorophenyl)methanone is sourced from PubChem (CID 105349156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).