(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone

C15H19ClO3 — CID 65154431

IUPAC(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2C(C)OC(C)C2C)cc1Cl
InChIInChI=1S/C15H19ClO3/c1-8-9(2)19-10(3)14(8)15(17)11-5-6-13(18-4)12(16)7-11/h5-10,14H,1-4H3
InChIKeyQFVFBWCNQGFMEG-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.59
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone

(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (PubChem CID 65154431) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
PubChem CID65154431
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2C(C)OC(C)C2C)cc1Cl
InChIInChI=1S/C15H19ClO3/c1-8-9(2)19-10(3)14(8)15(17)11-5-6-13(18-4)12(16)7-11/h5-10,14H,1-4H3
InChIKeyQFVFBWCNQGFMEG-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)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

(3-chloro-4-methoxyphenyl)-(2-methyloxolan-3-yl)methanone
CID 79759516
(3-chloro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176355
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
CID 126593158
1-(3-chloro-4-methoxyphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
CID 107752386
2-amino-1-(3-chloro-4-methoxyphenyl)ethanone
CID 79002249
2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 43144155
(2S)-2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 93257982
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
(3-chloro-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126417
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone (CID 65154431) is (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is COc1ccc(C(=O)C2C(C)OC(C)C2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
The InChIKey is QFVFBWCNQGFMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c1-8-9(2)19-10(3)14(8)15(17)11-5-6-13(18-4)12(16)7-11/h5-10,14H,1-4H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone?
(3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanone is sourced from PubChem (CID 65154431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).