6-phenylmethoxy-1,3-benzoxathiol-2-one

C14H10O3S — CID 10682625

IUPAC6-phenylmethoxy-1,3-benzoxathiol-2-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2s1
InChIInChI=1S/C14H10O3S/c15-14-17-12-8-11(6-7-13(12)18-14)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyBIRJEQFYQXARRR-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.43
Rot. Bonds3

About 6-phenylmethoxy-1,3-benzoxathiol-2-one

6-phenylmethoxy-1,3-benzoxathiol-2-one (PubChem CID 10682625) has the molecular formula C14H10O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-phenylmethoxy-1,3-benzoxathiol-2-one.

Molecular Properties

Compound Name6-phenylmethoxy-1,3-benzoxathiol-2-one
PubChem CID10682625
Molecular FormulaC14H10O3S
Molecular Weight258.30 g/mol
Exact Mass258.04
IUPAC Name6-phenylmethoxy-1,3-benzoxathiol-2-one
SMILESO=c1oc2cc(OCc3ccccc3)ccc2s1
InChIInChI=1S/C14H10O3S/c15-14-17-12-8-11(6-7-13(12)18-14)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyBIRJEQFYQXARRR-UHFFFAOYSA-N
XLogP3.43
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-phenylmethoxy-1,3-benzoxathiol-2-one 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

6-(thiophen-3-ylmethoxy)-1,3-benzoxathiol-2-one
CID 22010465
6-[(3-nitrophenyl)methoxy]-1,3-benzoxathiol-2-one
CID 166637419
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
6-phenylmethoxychromen-2-one
CID 59816113
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
3-(5-phenylmethoxy-1-benzothiophen-2-yl)propanoic acid
CID 67664676
8-bromo-3-phenylmethoxybenzo[c]chromen-6-one
CID 164598270
2-(6-phenylmethoxy-1-benzothiophen-2-yl)acetaldehyde
CID 118578588
4-phenylmethoxypyran-2-one
CID 16637546
3-diphenylphosphoryl-7-phenylmethoxychromen-2-one
CID 177465411
(2-oxo-1,3-benzoxathiol-6-yl) 2,2-dimethylbutanoate
CID 58341730

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1,3-benzoxathiol-2-one?
The IUPAC name of 6-phenylmethoxy-1,3-benzoxathiol-2-one (CID 10682625) is 6-phenylmethoxy-1,3-benzoxathiol-2-one.
What is the SMILES notation for 6-phenylmethoxy-1,3-benzoxathiol-2-one?
The canonical SMILES for 6-phenylmethoxy-1,3-benzoxathiol-2-one is O=c1oc2cc(OCc3ccccc3)ccc2s1.
What is the InChIKey of 6-phenylmethoxy-1,3-benzoxathiol-2-one?
The InChIKey is BIRJEQFYQXARRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3S/c15-14-17-12-8-11(6-7-13(12)18-14)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 6-phenylmethoxy-1,3-benzoxathiol-2-one?
6-phenylmethoxy-1,3-benzoxathiol-2-one has a molecular weight of 258.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1,3-benzoxathiol-2-one is sourced from PubChem (CID 10682625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).