1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone

C15H20O2S — CID 107752409

IUPAC1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSC2CCOC2C)cc1C
InChIInChI=1S/C15H20O2S/c1-10-4-5-13(8-11(10)2)14(16)9-18-15-6-7-17-12(15)3/h4-5,8,12,15H,6-7,9H2,1-3H3
InChIKeyPOQVRLYZYSJNRG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.40
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone

1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone (PubChem CID 107752409) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
PubChem CID107752409
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSC2CCOC2C)cc1C
InChIInChI=1S/C15H20O2S/c1-10-4-5-13(8-11(10)2)14(16)9-18-15-6-7-17-12(15)3/h4-5,8,12,15H,6-7,9H2,1-3H3
InChIKeyPOQVRLYZYSJNRG-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone (CID 107752409) is 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone is Cc1ccc(C(=O)CSC2CCOC2C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
The InChIKey is POQVRLYZYSJNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-10-4-5-13(8-11(10)2)14(16)9-18-15-6-7-17-12(15)3/h4-5,8,12,15H,6-7,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone?
1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone has a molecular weight of 264.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-methyloxolan-3-yl)sulfanylethanone is sourced from PubChem (CID 107752409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).