8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran

C19H17NO6S — CID 7963270

IUPAC8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran
SMILESCS(=O)(=O)c1ccc(Oc2ccc3oc4c(c3c2)CCCC4)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17NO6S/c1-27(23,24)13-7-9-19(16(11-13)20(21)22)25-12-6-8-18-15(10-12)14-4-2-3-5-17(14)26-18/h6-11H,2-5H2,1H3
InChIKeyJARYTLFYTZGHKS-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.42
Rot. Bonds4

About 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran

8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran (PubChem CID 7963270) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran.

Molecular Properties

Compound Name8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran
PubChem CID7963270
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran
SMILESCS(=O)(=O)c1ccc(Oc2ccc3oc4c(c3c2)CCCC4)c([N+](=O)[O-])c1
InChIInChI=1S/C19H17NO6S/c1-27(23,24)13-7-9-19(16(11-13)20(21)22)25-12-6-8-18-15(10-12)14-4-2-3-5-17(14)26-18/h6-11H,2-5H2,1H3
InChIKeyJARYTLFYTZGHKS-UHFFFAOYSA-N
XLogP4.42
TPSA99.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylsulfonyl-2-nitrophenoxy)-2,3-dihydroinden-1-one
CID 133486345
1,2-dichloro-4-(4-methylsulfonyl-2-nitrophenoxy)benzene
CID 514866
4-(4-methylsulfonyl-2-nitrophenoxy)aniline
CID 61027295
methyl 4-(4-methylsulfonyl-2-nitrophenoxy)benzoate
CID 9280990
7-(4-methylsulfonyl-2-nitrophenoxy)-4-propylchromen-2-one
CID 9111663
4-methoxy-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 163575479
4-chloro-3-nitro-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)benzenesulfonamide
CID 2873288
2-chloro-5-(4-methylsulfonyl-2-nitrophenoxy)pyridine
CID 133384127
methyl 3-(4-methylsulfonyl-2-nitrophenoxy)benzoate
CID 7963220
4-fluoro-1-(4-methylsulfonylphenoxy)-2-nitrobenzene
CID 60592221
1-methyl-3-(4-methylsulfonyl-2-nitrophenoxy)-2-nitrobenzene
CID 133391416
4-fluoro-1-(3-methylsulfonylphenoxy)-2-nitrobenzene
CID 60504667

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran?
The IUPAC name of 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran (CID 7963270) is 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran.
What is the SMILES notation for 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran?
The canonical SMILES for 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran is CS(=O)(=O)c1ccc(Oc2ccc3oc4c(c3c2)CCCC4)c([N+](=O)[O-])c1.
What is the InChIKey of 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran?
The InChIKey is JARYTLFYTZGHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-27(23,24)13-7-9-19(16(11-13)20(21)22)25-12-6-8-18-15(10-12)14-4-2-3-5-17(14)26-18/h6-11H,2-5H2,1H3.
What are the key properties of 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran?
8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran has a molecular weight of 387.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonyl-2-nitrophenoxy)-1,2,3,4-tetrahydrodibenzofuran is sourced from PubChem (CID 7963270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).