4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol

C15H12O3S — CID 90677226

IUPAC4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol
SMILESCOc1ccc2c(c1)SC=C(c1ccc(O)cc1)O2
InChIInChI=1S/C15H12O3S/c1-17-12-6-7-13-15(8-12)19-9-14(18-13)10-2-4-11(16)5-3-10/h2-9,16H,1H3
InChIKeyREAHCRNAGHVRKW-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.88
Rot. Bonds2

About 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol

4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol (PubChem CID 90677226) has the molecular formula C15H12O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol.

Molecular Properties

Compound Name4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol
PubChem CID90677226
Molecular FormulaC15H12O3S
Molecular Weight272.33 g/mol
Exact Mass272.05
IUPAC Name4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol
SMILESCOc1ccc2c(c1)SC=C(c1ccc(O)cc1)O2
InChIInChI=1S/C15H12O3S/c1-17-12-6-7-13-15(8-12)19-9-14(18-13)10-2-4-11(16)5-3-10/h2-9,16H,1H3
InChIKeyREAHCRNAGHVRKW-UHFFFAOYSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol?
The IUPAC name of 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol (CID 90677226) is 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol.
What is the SMILES notation for 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol?
The canonical SMILES for 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol is COc1ccc2c(c1)SC=C(c1ccc(O)cc1)O2.
What is the InChIKey of 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol?
The InChIKey is REAHCRNAGHVRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3S/c1-17-12-6-7-13-15(8-12)19-9-14(18-13)10-2-4-11(16)5-3-10/h2-9,16H,1H3.
What are the key properties of 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol?
4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol has a molecular weight of 272.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,4-benzoxathiin-2-yl)phenol is sourced from PubChem (CID 90677226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).