8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol

C10H12O2S — CID 82887429

IUPAC8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
SMILESCOc1cccc2c1CSCC2O
InChIInChI=1S/C10H12O2S/c1-12-10-4-2-3-7-8(10)5-13-6-9(7)11/h2-4,9,11H,5-6H2,1H3
InChIKeyRUFGMNJVDCRAAV-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.98
Rot. Bonds1

About 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol

8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 82887429) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID82887429
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
SMILESCOc1cccc2c1CSCC2O
InChIInChI=1S/C10H12O2S/c1-12-10-4-2-3-7-8(10)5-13-6-9(7)11/h2-4,9,11H,5-6H2,1H3
InChIKeyRUFGMNJVDCRAAV-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-8-chloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886568
5-chloro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887640
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886324
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
(4R)-3,4-dihydro-1H-benzo[h]isothiochromen-4-ol
CID 82885880
(5R)-9-ethoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82886000
(4R)-7,8-dichloro-3,4-dihydro-1H-isothiochromen-4-ol
CID 107311182
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356806
8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine
CID 82886640
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol (CID 82887429) is 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol is COc1cccc2c1CSCC2O.
What is the InChIKey of 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is RUFGMNJVDCRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-12-10-4-2-3-7-8(10)5-13-6-9(7)11/h2-4,9,11H,5-6H2,1H3.
What are the key properties of 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol?
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 196.27 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 82887429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).