2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide

C26H20O3S — CID 22382137

IUPAC2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2cc(OCc3ccccc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C26H20O3S/c27-30-25-14-8-7-13-21(25)22-15-23(28-17-19-9-3-1-4-10-19)24(16-26(22)30)29-18-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeySIBDYKXJQMEWGH-UHFFFAOYSA-N
MW412.51 g/mol
LogP5.99
Rot. Bonds6

About 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide

2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide (PubChem CID 22382137) has the molecular formula C26H20O3S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide.

Molecular Properties

Compound Name2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide
PubChem CID22382137
Molecular FormulaC26H20O3S
Molecular Weight412.51 g/mol
Exact Mass412.11
IUPAC Name2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2cc(OCc3ccccc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C26H20O3S/c27-30-25-14-8-7-13-21(25)22-15-23(28-17-19-9-3-1-4-10-19)24(16-26(22)30)29-18-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeySIBDYKXJQMEWGH-UHFFFAOYSA-N
XLogP5.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.51
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzothiophene 5-oxide
CID 13898
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
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2-[3-[3,4-bis(phenylmethoxy)phenyl]propyl]isoindole-1,3-dione
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CID 150017860
2-hydroxy-4-phenylmethoxy-5-sulfooxybenzoic acid
CID 169434263
4-bromo-1-methylsulfonyl-2-phenylmethoxybenzene
CID 75487824
N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide
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2,6-bis(phenylmethoxy)anthracene-9,10-dione
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5-bromo-3-phenylmethoxybenzene-1,2-diol
CID 86049780

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide?
The IUPAC name of 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide (CID 22382137) is 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide.
What is the SMILES notation for 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide?
The canonical SMILES for 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide is O=S1c2ccccc2-c2cc(OCc3ccccc3)c(OCc3ccccc3)cc21.
What is the InChIKey of 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide?
The InChIKey is SIBDYKXJQMEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O3S/c27-30-25-14-8-7-13-21(25)22-15-23(28-17-19-9-3-1-4-10-19)24(16-26(22)30)29-18-20-11-5-2-6-12-20/h1-16H,17-18H2.
What are the key properties of 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide?
2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide has a molecular weight of 412.51 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylmethoxy)dibenzothiophene 5-oxide is sourced from PubChem (CID 22382137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).