4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol

C15H14O3S — CID 24863523

IUPAC4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)cc1)CS2
InChIInChI=1S/C15H14O3S/c1-17-12-6-7-15-13(8-12)18-14(9-19-15)10-2-4-11(16)5-3-10/h2-8,14,16H,9H2,1H3
InChIKeyVMYISDREFRJQAV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.63
Rot. Bonds2

About 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol

4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol (PubChem CID 24863523) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol.

Molecular Properties

Compound Name4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
PubChem CID24863523
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol
SMILESCOc1ccc2c(c1)OC(c1ccc(O)cc1)CS2
InChIInChI=1S/C15H14O3S/c1-17-12-6-7-15-13(8-12)18-14(9-19-15)10-2-4-11(16)5-3-10/h2-8,14,16H,9H2,1H3
InChIKeyVMYISDREFRJQAV-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol?
The IUPAC name of 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol (CID 24863523) is 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol.
What is the SMILES notation for 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol?
The canonical SMILES for 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol is COc1ccc2c(c1)OC(c1ccc(O)cc1)CS2.
What is the InChIKey of 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol?
The InChIKey is VMYISDREFRJQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-17-12-6-7-15-13(8-12)18-14(9-19-15)10-2-4-11(16)5-3-10/h2-8,14,16H,9H2,1H3.
What are the key properties of 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol?
4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol has a molecular weight of 274.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)phenol is sourced from PubChem (CID 24863523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).