(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol

C11H14O4S2 — CID 10754804

IUPAC(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)C2[S@](=O)CC[S@]2=O)cc1
InChIInChI=1S/C11H14O4S2/c1-15-9-4-2-8(3-5-9)10(12)11-16(13)6-7-17(11)14/h2-5,10-12H,6-7H2,1H3/t10-,16+,17+/m0/s1
InChIKeyLIWCVQOHFUOMSA-LZVXQISVSA-N
MW274.36 g/mol
LogP0.57
Rot. Bonds3

About (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol

(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol (PubChem CID 10754804) has the molecular formula C11H14O4S2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
PubChem CID10754804
Molecular FormulaC11H14O4S2
Molecular Weight274.36 g/mol
Exact Mass274.03
IUPAC Name(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@H](O)C2[S@](=O)CC[S@]2=O)cc1
InChIInChI=1S/C11H14O4S2/c1-15-9-4-2-8(3-5-9)10(12)11-16(13)6-7-17(11)14/h2-5,10-12H,6-7H2,1H3/t10-,16+,17+/m0/s1
InChIKeyLIWCVQOHFUOMSA-LZVXQISVSA-N
XLogP0.57
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

chloro-(4-methoxyphenyl)methanol
CID 130923369
(4-methoxyphenyl)-(2-nitrocyclohexyl)methanol
CID 586341
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
(4-methoxyphenyl)-[2-(methylamino)cyclohexyl]methanol
CID 117066669
(4-methoxyphenyl)-(2-methylcyclopentyl)methanol
CID 107181512
2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
(2R)-1,1-bis(4-methoxyphenyl)propan-2-ol
CID 91746525
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-4-methylmorpholin-3-one
CID 95989438
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136
(R)-[(1S)-cyclohexa-2,4-dien-1-yl]-(4-methoxyphenyl)methanol
CID 102082183
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359

Frequently Asked Questions

What is the IUPAC name of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol (CID 10754804) is (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol is COc1ccc([C@H](O)C2[S@](=O)CC[S@]2=O)cc1.
What is the InChIKey of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol?
The InChIKey is LIWCVQOHFUOMSA-LZVXQISVSA-N. The full InChI is InChI=1S/C11H14O4S2/c1-15-9-4-2-8(3-5-9)10(12)11-16(13)6-7-17(11)14/h2-5,10-12H,6-7H2,1H3/t10-,16+,17+/m0/s1.
What are the key properties of (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol?
(S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol has a molecular weight of 274.36 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1R,3R)-1,3-dioxo-1,3-dithiolan-2-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 10754804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).