(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol

C14H12O2S — CID 102374647

IUPAC(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol
SMILESOc1ccc2c(c1)SC[C@H](c1ccccc1)O2
InChIInChI=1S/C14H12O2S/c15-11-6-7-12-14(8-11)17-9-13(16-12)10-4-2-1-3-5-10/h1-8,13,15H,9H2/t13-/m1/s1
InChIKeyCPSFUCYWQUYUPC-CYBMUJFWSA-N
MW244.32 g/mol
LogP3.62
Rot. Bonds1

About (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol

(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol (PubChem CID 102374647) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol.

Molecular Properties

Compound Name(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol
PubChem CID102374647
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol
SMILESOc1ccc2c(c1)SC[C@H](c1ccccc1)O2
InChIInChI=1S/C14H12O2S/c15-11-6-7-12-14(8-11)17-9-13(16-12)10-4-2-1-3-5-10/h1-8,13,15H,9H2/t13-/m1/s1
InChIKeyCPSFUCYWQUYUPC-CYBMUJFWSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2,3-dihydro-1,4-benzoxathiine
CID 10398900
(2S)-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 11988846
ethane;(2S)-2-[4-[2-(2-methylpyrrolidin-1-yl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol;phenol
CID 142819090
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
(2S)-2-[4-[2-(4-methylazocan-1-yl)propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol;phenol
CID 142823258
(2S)-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 142818557
6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174481286
5-chloro-2-[(2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-yl)oxy]pyridine
CID 69020435
4-(6-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)benzene-1,2-diol
CID 90677223
(6-hydroxy-2-phenyl-2,3-dihydrochromen-4-ylidene)cyanamide
CID 58424361
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;2-phenyl-2,3-dihydrochromen-4-one
CID 68519073
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol?
The IUPAC name of (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol (CID 102374647) is (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol.
What is the SMILES notation for (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol?
The canonical SMILES for (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol is Oc1ccc2c(c1)SC[C@H](c1ccccc1)O2.
What is the InChIKey of (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol?
The InChIKey is CPSFUCYWQUYUPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12O2S/c15-11-6-7-12-14(8-11)17-9-13(16-12)10-4-2-1-3-5-10/h1-8,13,15H,9H2/t13-/m1/s1.
What are the key properties of (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol?
(2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol has a molecular weight of 244.32 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2,3-dihydro-1,4-benzoxathiin-6-ol is sourced from PubChem (CID 102374647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).