1-methylsulfonyl-4-propan-2-yloxybenzene

C10H14O3S — CID 18738819

IUPAC1-methylsulfonyl-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H14O3S/c1-8(2)13-9-4-6-10(7-5-9)14(3,11)12/h4-8H,1-3H3
InChIKeyDFNRRSXUIFGBCX-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.88
Rot. Bonds3

About 1-methylsulfonyl-4-propan-2-yloxybenzene

1-methylsulfonyl-4-propan-2-yloxybenzene (PubChem CID 18738819) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-methylsulfonyl-4-propan-2-yloxybenzene
PubChem CID18738819
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name1-methylsulfonyl-4-propan-2-yloxybenzene
SMILESCC(C)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H14O3S/c1-8(2)13-9-4-6-10(7-5-9)14(3,11)12/h4-8H,1-3H3
InChIKeyDFNRRSXUIFGBCX-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methylsulfonyl-4-propan-2-yloxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propan-2-yloxybenzene?
The IUPAC name of 1-methylsulfonyl-4-propan-2-yloxybenzene (CID 18738819) is 1-methylsulfonyl-4-propan-2-yloxybenzene.
What is the SMILES notation for 1-methylsulfonyl-4-propan-2-yloxybenzene?
The canonical SMILES for 1-methylsulfonyl-4-propan-2-yloxybenzene is CC(C)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-methylsulfonyl-4-propan-2-yloxybenzene?
The InChIKey is DFNRRSXUIFGBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-8(2)13-9-4-6-10(7-5-9)14(3,11)12/h4-8H,1-3H3.
What are the key properties of 1-methylsulfonyl-4-propan-2-yloxybenzene?
1-methylsulfonyl-4-propan-2-yloxybenzene has a molecular weight of 214.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propan-2-yloxybenzene is sourced from PubChem (CID 18738819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).