(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone

C15H20O2S — CID 105128593

IUPAC(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1(C)CCCS1
InChIInChI=1S/C15H20O2S/c1-3-10-17-13-8-5-4-7-12(13)14(16)15(2)9-6-11-18-15/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyBIADWUINZYOTSC-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.94
Rot. Bonds5

About (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone

(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone (PubChem CID 105128593) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
PubChem CID105128593
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone
SMILESCCCOc1ccccc1C(=O)C1(C)CCCS1
InChIInChI=1S/C15H20O2S/c1-3-10-17-13-8-5-4-7-12(13)14(16)15(2)9-6-11-18-15/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyBIADWUINZYOTSC-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methylthiolan-2-yl)-(2-propoxyphenyl)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

(1-ethoxycyclopentyl)-(2-propoxyphenyl)methanone
CID 116747778
(2-propoxyphenyl)-(thiolan-2-yl)methanone
CID 104659403
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(2-methoxy-4-nitrophenyl)-(2-methylthiolan-2-yl)methanone
CID 104783517
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-propoxy-N-propylbenzamide
CID 58831728
(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609477
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907

Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone?
The IUPAC name of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone (CID 105128593) is (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone.
What is the SMILES notation for (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone?
The canonical SMILES for (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone is CCCOc1ccccc1C(=O)C1(C)CCCS1.
What is the InChIKey of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone?
The InChIKey is BIADWUINZYOTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-3-10-17-13-8-5-4-7-12(13)14(16)15(2)9-6-11-18-15/h4-5,7-8H,3,6,9-11H2,1-2H3.
What are the key properties of (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone?
(2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone has a molecular weight of 264.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(2-propoxyphenyl)methanone is sourced from PubChem (CID 105128593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).