6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol

C15H14OS — CID 82885860

IUPAC6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
SMILESOC1CSCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H14OS/c16-15-10-17-9-13-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h1-8,15-16H,9-10H2
InChIKeyPTZZZLYBWHWTKX-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.63
Rot. Bonds1

About 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol

6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 82885860) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID82885860
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol
SMILESOC1CSCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C15H14OS/c16-15-10-17-9-13-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h1-8,15-16H,9-10H2
InChIKeyPTZZZLYBWHWTKX-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886779
N-methyl-7-phenyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82888356
5-phenyl-2,3-dihydro-1H-inden-1-ol
CID 23082740
6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656
7-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 177245462
(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014200
2,2',7,7'-tetraphenylspiro[9H-phenanthrene-10,9'-fluorene]-9-ol
CID 102443585
5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11310932
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 69441427
2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543452

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol (CID 82885860) is 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol is OC1CSCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is PTZZZLYBWHWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c16-15-10-17-9-13-7-6-12(8-14(13)15)11-4-2-1-3-5-11/h1-8,15-16H,9-10H2.
What are the key properties of 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol?
6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 242.34 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 82885860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).