4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide

C19H20O4S — CID 53307976

IUPAC4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCOc1ccc(Oc2ccc3c(c2)S(=O)(=O)CCC3C2CC2)cc1
InChIInChI=1S/C19H20O4S/c1-22-14-4-6-15(7-5-14)23-16-8-9-18-17(13-2-3-13)10-11-24(20,21)19(18)12-16/h4-9,12-13,17H,2-3,10-11H2,1H3
InChIKeyMUALMOLIWNNSGD-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.16
Rot. Bonds4

About 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide

4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 53307976) has the molecular formula C19H20O4S and a molecular weight of 344.43 g/mol. Its IUPAC name is 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID53307976
Molecular FormulaC19H20O4S
Molecular Weight344.43 g/mol
Exact Mass344.11
IUPAC Name4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCOc1ccc(Oc2ccc3c(c2)S(=O)(=O)CCC3C2CC2)cc1
InChIInChI=1S/C19H20O4S/c1-22-14-4-6-15(7-5-14)23-16-8-9-18-17(13-2-3-13)10-11-24(20,21)19(18)12-16/h4-9,12-13,17H,2-3,10-11H2,1H3
InChIKeyMUALMOLIWNNSGD-UHFFFAOYSA-N
XLogP4.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 53307976) is 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide is COc1ccc(Oc2ccc3c(c2)S(=O)(=O)CCC3C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is MUALMOLIWNNSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4S/c1-22-14-4-6-15(7-5-14)23-16-8-9-18-17(13-2-3-13)10-11-24(20,21)19(18)12-16/h4-9,12-13,17H,2-3,10-11H2,1H3.
What are the key properties of 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 344.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 53307976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).