(2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran

C14H18O3S — CID 10923482

IUPAC(2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
SMILESCCO[C@H]1CCC(S(=O)c2ccc(C)cc2)=CO1
InChIInChI=1S/C14H18O3S/c1-3-16-14-9-8-13(10-17-14)18(15)12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3/t14-,18?/m1/s1
InChIKeyZFYJQMBNZJKTKN-IKJXHCRLSA-N
MW266.36 g/mol
LogP3.12
Rot. Bonds4

About (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran

(2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran (PubChem CID 10923482) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
PubChem CID10923482
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name(2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran
SMILESCCO[C@H]1CCC(S(=O)c2ccc(C)cc2)=CO1
InChIInChI=1S/C14H18O3S/c1-3-16-14-9-8-13(10-17-14)18(15)12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3/t14-,18?/m1/s1
InChIKeyZFYJQMBNZJKTKN-IKJXHCRLSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran 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 (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran (CID 10923482) is (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran is CCO[C@H]1CCC(S(=O)c2ccc(C)cc2)=CO1.
What is the InChIKey of (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
The InChIKey is ZFYJQMBNZJKTKN-IKJXHCRLSA-N. The full InChI is InChI=1S/C14H18O3S/c1-3-16-14-9-8-13(10-17-14)18(15)12-6-4-11(2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran?
(2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran has a molecular weight of 266.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-5-(4-methylphenyl)sulfinyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10923482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).