2-(benzenesulfinyl)-3,4-dihydro-2H-chromene

C15H14O2S — CID 100929300

IUPAC2-(benzenesulfinyl)-3,4-dihydro-2H-chromene
SMILESO=S(c1ccccc1)C1CCc2ccccc2O1
InChIInChI=1S/C15H14O2S/c16-18(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-9,15H,10-11H2
InChIKeyZFIPAVOKYWOXQS-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.15
Rot. Bonds2

About 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene

2-(benzenesulfinyl)-3,4-dihydro-2H-chromene (PubChem CID 100929300) has the molecular formula C15H14O2S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(benzenesulfinyl)-3,4-dihydro-2H-chromene
PubChem CID100929300
Molecular FormulaC15H14O2S
Molecular Weight258.34 g/mol
Exact Mass258.07
IUPAC Name2-(benzenesulfinyl)-3,4-dihydro-2H-chromene
SMILESO=S(c1ccccc1)C1CCc2ccccc2O1
InChIInChI=1S/C15H14O2S/c16-18(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-9,15H,10-11H2
InChIKeyZFIPAVOKYWOXQS-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzenesulfinyl)-1,2,3,4-tetrahydronaphthalene
CID 132573868
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
(2R)-3,4-dihydro-2H-chromene-2-carbaldehyde
CID 54208872
(2R)-2-[(2S)-oxiran-2-yl]-3,4-dihydro-2H-chromene
CID 102531823
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
(2S)-N-methyl-3,4-dihydro-2H-chromen-2-amine
CID 70116238
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
2-phenoxy-3,4-dihydro-2H-chromene
CID 14668691
3,4-dihydro-2H-chromen-2-yl phenyl carbonate
CID 54471598

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene (CID 100929300) is 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene is O=S(c1ccccc1)C1CCc2ccccc2O1.
What is the InChIKey of 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene?
The InChIKey is ZFIPAVOKYWOXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S/c16-18(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-9,15H,10-11H2.
What are the key properties of 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene?
2-(benzenesulfinyl)-3,4-dihydro-2H-chromene has a molecular weight of 258.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 100929300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).