7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene

C17H18O4S — CID 91168489

IUPAC7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene
SMILESCOCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C17H18O4S/c1-20-12-14-9-7-13-8-10-16(11-17(13)21-14)22(18,19)15-5-3-2-4-6-15/h2-6,8,10-11,14H,7,9,12H2,1H3
InChIKeyYSRAILCJMIWQLL-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.86
Rot. Bonds4

About 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene

7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene (PubChem CID 91168489) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene
PubChem CID91168489
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Name7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene
SMILESCOCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C17H18O4S/c1-20-12-14-9-7-13-8-10-16(11-17(13)21-14)22(18,19)15-5-3-2-4-6-15/h2-6,8,10-11,14H,7,9,12H2,1H3
InChIKeyYSRAILCJMIWQLL-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene (CID 91168489) is 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene is COCC1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1.
What is the InChIKey of 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene?
The InChIKey is YSRAILCJMIWQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4S/c1-20-12-14-9-7-13-8-10-16(11-17(13)21-14)22(18,19)15-5-3-2-4-6-15/h2-6,8,10-11,14H,7,9,12H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene?
7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene has a molecular weight of 318.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-(methoxymethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 91168489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).