7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene

C16H16OS — CID 144987233

IUPAC7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene
SMILESCc1ccccc1Sc1ccc2c(c1)OCCC2
InChIInChI=1S/C16H16OS/c1-12-5-2-3-7-16(12)18-14-9-8-13-6-4-10-17-15(13)11-14/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyKVCGSZJXHHMTMM-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.47
Rot. Bonds2

About 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene

7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene (PubChem CID 144987233) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene
PubChem CID144987233
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene
SMILESCc1ccccc1Sc1ccc2c(c1)OCCC2
InChIInChI=1S/C16H16OS/c1-12-5-2-3-7-16(12)18-14-9-8-13-6-4-10-17-15(13)11-14/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyKVCGSZJXHHMTMM-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene (CID 144987233) is 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene is Cc1ccccc1Sc1ccc2c(c1)OCCC2.
What is the InChIKey of 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene?
The InChIKey is KVCGSZJXHHMTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS/c1-12-5-2-3-7-16(12)18-14-9-8-13-6-4-10-17-15(13)11-14/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene?
7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene has a molecular weight of 256.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylphenyl)sulfanyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 144987233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).