(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol

C13H12OS — CID 82885880

IUPAC(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol
SMILESO[C@H]1CSCc2c1ccc1ccccc21
InChIInChI=1S/C13H12OS/c14-13-8-15-7-12-10-4-2-1-3-9(10)5-6-11(12)13/h1-6,13-14H,7-8H2/t13-/m0/s1
InChIKeyONHVTPHQAPKPDE-ZDUSSCGKSA-N
MW216.31 g/mol
LogP3.12
Rot. Bonds

About (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol

(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol (PubChem CID 82885880) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol.

Molecular Properties

Compound Name(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol
PubChem CID82885880
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol
SMILESO[C@H]1CSCc2c1ccc1ccccc21
InChIInChI=1S/C13H12OS/c14-13-8-15-7-12-10-4-2-1-3-9(10)5-6-11(12)13/h1-6,13-14H,7-8H2/t13-/m0/s1
InChIKeyONHVTPHQAPKPDE-ZDUSSCGKSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-1,3,4,5-tetrahydrobenzo[i][2]benzothiepin-5-amine
CID 82890007
(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886568
(4R)-7,8-dichloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107311182
1,3-dihydrobenzo[e][2]benzofuran-3-ol
CID 130127539
(5S)-3-methyl-1,3,4,5-tetrahydrobenzo[i][2]benzothiepin-5-amine
CID 82890002
7,14-dihydrobenzo[a]tetracen-7-ol
CID 177323906
(1S,2R,3S)-3-amino-1-chloro-1,2,3,4-tetrahydrophenanthren-2-ol
CID 22843614
2-naphthalen-1-yl-1,4-dithiane
CID 54325650
(5S)-2,3,4,5-tetrahydrobenzo[i][1]benzoxepin-5-ol
CID 79014244
2-methylidene-3,4-dihydrobenzo[h]chromen-4-ol
CID 177433025
tetrakis(naphthalen-1-ol);titanium
CID 18400436
ethane;(13R,14R,17S)-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-ol
CID 91344405

Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol?
The IUPAC name of (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol (CID 82885880) is (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol.
What is the SMILES notation for (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol?
The canonical SMILES for (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol is O[C@H]1CSCc2c1ccc1ccccc21.
What is the InChIKey of (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol?
The InChIKey is ONHVTPHQAPKPDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H12OS/c14-13-8-15-7-12-10-4-2-1-3-9(10)5-6-11(12)13/h1-6,13-14H,7-8H2/t13-/m0/s1.
What are the key properties of (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol?
(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol has a molecular weight of 216.31 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol is sourced from PubChem (CID 82885880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).