4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide

C16H16O3S — CID 177472438

IUPAC4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCOc1ccc(C2CCS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C16H16O3S/c1-19-13-8-6-12(7-9-13)14-10-11-20(17,18)16-5-3-2-4-15(14)16/h2-9,14H,10-11H2,1H3
InChIKeyCZPHGIAXCSQLOY-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.00
Rot. Bonds2

About 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide

4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 177472438) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID177472438
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCOc1ccc(C2CCS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C16H16O3S/c1-19-13-8-6-12(7-9-13)14-10-11-20(17,18)16-5-3-2-4-15(14)16/h2-9,14H,10-11H2,1H3
InChIKeyCZPHGIAXCSQLOY-UHFFFAOYSA-N
XLogP3.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
4-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 141294884
(4S)-4-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 840171
7-(4-methoxyphenyl)-6,7-dihydrobenzo[d][1,2]benzothiazepine 5,5-dioxide
CID 172768792
4-(4-methoxyphenyl)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 14392113
2-methoxy-5-phenyl-2,3,4,5-tetrahydro-1λ6-benzothiepine 1,1-dioxide
CID 67721442
N-(4-methoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522812
4-cyclopropyl-7-(4-methoxyphenoxy)-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 53307976
(3S,5S)-3-butyl-3-ethyl-5-(4-methoxyphenyl)-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide
CID 67570095
6-methoxy-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539369
3-butyl-3-ethyl-5-(4-methoxyphenyl)-4,5-dihydro-2H-1λ6,4-benzothiazepine 1,1-dioxide;hydrochloride
CID 67570571
N-(2-methoxypropyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 102696007

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 177472438) is 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide is COc1ccc(C2CCS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is CZPHGIAXCSQLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-19-13-8-6-12(7-9-13)14-10-11-20(17,18)16-5-3-2-4-15(14)16/h2-9,14H,10-11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 288.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 177472438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).