3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol

C15H13BrO4S — CID 106585002

IUPAC3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1)C1COc2ccccc2C1O
InChIInChI=1S/C15H13BrO4S/c16-10-5-7-11(8-6-10)21(18,19)14-9-20-13-4-2-1-3-12(13)15(14)17/h1-8,14-15,17H,9H2
InChIKeyUPVZKRTZCNTSTD-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.72
Rot. Bonds2

About 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol

3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 106585002) has the molecular formula C15H13BrO4S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID106585002
Molecular FormulaC15H13BrO4S
Molecular Weight369.24 g/mol
Exact Mass367.97
IUPAC Name3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol
SMILESO=S(=O)(c1ccc(Br)cc1)C1COc2ccccc2C1O
InChIInChI=1S/C15H13BrO4S/c16-10-5-7-11(8-6-10)21(18,19)14-9-20-13-4-2-1-3-12(13)15(14)17/h1-8,14-15,17H,9H2
InChIKeyUPVZKRTZCNTSTD-UHFFFAOYSA-N
XLogP2.72
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol (CID 106585002) is 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol is O=S(=O)(c1ccc(Br)cc1)C1COc2ccccc2C1O.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UPVZKRTZCNTSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4S/c16-10-5-7-11(8-6-10)21(18,19)14-9-20-13-4-2-1-3-12(13)15(14)17/h1-8,14-15,17H,9H2.
What are the key properties of 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol?
3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 369.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 106585002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).