2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol

C15H22O4S — CID 81416782

IUPAC2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccc(S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H22O4S/c1-5-15(2)11(9-14(15)16)10-6-7-13(20(4,17)18)12(8-10)19-3/h6-8,11,14,16H,5,9H2,1-4H3
InChIKeyQSEFUUGLMQZWHB-UHFFFAOYSA-N
MW298.40 g/mol
LogP2.36
Rot. Bonds4

About 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol

2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol (PubChem CID 81416782) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol
PubChem CID81416782
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol
SMILESCCC1(C)C(O)CC1c1ccc(S(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H22O4S/c1-5-15(2)11(9-14(15)16)10-6-7-13(20(4,17)18)12(8-10)19-3/h6-8,11,14,16H,5,9H2,1-4H3
InChIKeyQSEFUUGLMQZWHB-UHFFFAOYSA-N
XLogP2.36
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol?
The IUPAC name of 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol (CID 81416782) is 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol?
The canonical SMILES for 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol is CCC1(C)C(O)CC1c1ccc(S(C)(=O)=O)c(OC)c1.
What is the InChIKey of 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol?
The InChIKey is QSEFUUGLMQZWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4S/c1-5-15(2)11(9-14(15)16)10-6-7-13(20(4,17)18)12(8-10)19-3/h6-8,11,14,16H,5,9H2,1-4H3.
What are the key properties of 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol?
2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol has a molecular weight of 298.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methoxy-4-methylsulfonylphenyl)-2-methylcyclobutan-1-ol is sourced from PubChem (CID 81416782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).