1-phenoxathiin-2-ylethanol

C14H12O2S — CID 515168

IUPAC1-phenoxathiin-2-ylethanol
SMILESCC(O)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C14H12O2S/c1-9(15)10-6-7-12-14(8-10)17-13-5-3-2-4-11(13)16-12/h2-9,15H,1H3
InChIKeyUHWHRXQKVFAJTA-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.00
Rot. Bonds1

About 1-phenoxathiin-2-ylethanol

1-phenoxathiin-2-ylethanol (PubChem CID 515168) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-phenoxathiin-2-ylethanol.

Molecular Properties

Compound Name1-phenoxathiin-2-ylethanol
PubChem CID515168
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name1-phenoxathiin-2-ylethanol
SMILESCC(O)c1ccc2c(c1)Sc1ccccc1O2
InChIInChI=1S/C14H12O2S/c1-9(15)10-6-7-12-14(8-10)17-13-5-3-2-4-11(13)16-12/h2-9,15H,1H3
InChIKeyUHWHRXQKVFAJTA-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenoxathiinethanol, 10,10-dioxide
CID 9860394
1-(1-Hydroxyethyl)phenoxathiin 10,10-dioxide
CID 9993586
2,8-Dimethylphenoxathiin
CID 186060
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
1,2-Ethanediol, 1-(10,10-dioxido-1-phenoxathiinyl)-
CID 178277
1-(10,10-Dioxophenoxathiin-2-yl)ethanol
CID 515171
2-(4-Methoxyphenyl)-2,3-dihydro-1,4-benzoxathiine-5,7-diol
CID 10517608
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol
CID 11161281
2-(4-Hydroxyphenyl)-2,3-dihydro-1,4-benzoxathiin-7-ol
CID 11299942
1,4-Benzoxathiin-7-ol, 2,3-dihydro-2-(4-methoxyphenyl)-
CID 11460016
4-(7-Methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
CID 24863523
4-(6-Methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
CID 90677222

Frequently Asked Questions

What is the IUPAC name of 1-phenoxathiin-2-ylethanol?
The IUPAC name of 1-phenoxathiin-2-ylethanol (CID 515168) is 1-phenoxathiin-2-ylethanol.
What is the SMILES notation for 1-phenoxathiin-2-ylethanol?
The canonical SMILES for 1-phenoxathiin-2-ylethanol is CC(O)c1ccc2c(c1)Sc1ccccc1O2.
What is the InChIKey of 1-phenoxathiin-2-ylethanol?
The InChIKey is UHWHRXQKVFAJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-9(15)10-6-7-12-14(8-10)17-13-5-3-2-4-11(13)16-12/h2-9,15H,1H3.
What are the key properties of 1-phenoxathiin-2-ylethanol?
1-phenoxathiin-2-ylethanol has a molecular weight of 244.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxathiin-2-ylethanol is sourced from PubChem (CID 515168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).