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

C11H14O2S — CID 82886324

IUPAC8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
SMILESCOc1cccc2c1CSC(C)C2O
InChIInChI=1S/C11H14O2S/c1-7-11(12)8-4-3-5-10(13-2)9(8)6-14-7/h3-5,7,11-12H,6H2,1-2H3
InChIKeyOXWNRYXUELNRFI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.36
Rot. Bonds1

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

8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 82886324) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID82886324
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol
SMILESCOc1cccc2c1CSC(C)C2O
InChIInChI=1S/C11H14O2S/c1-7-11(12)8-4-3-5-10(13-2)9(8)6-14-7/h3-5,7,11-12H,6H2,1-2H3
InChIKeyOXWNRYXUELNRFI-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887429
8-methoxy-N-methyl-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356806
3-ethyl-8-methoxy-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356722
6,9-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885990
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
8-methoxy-2-methyl-3,4-dihydro-2H-thiochromen-4-amine
CID 61291108
8-methoxy-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356884
(7S,8R)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diol
CID 12996468
9-methoxy-3,6-dimethyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885989
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
8-methoxy-N,3,3-trimethyl-1,4-dihydroisothiochromen-4-amine
CID 82886640

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol (CID 82886324) is 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol is COc1cccc2c1CSC(C)C2O.
What is the InChIKey of 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is OXWNRYXUELNRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-7-11(12)8-4-3-5-10(13-2)9(8)6-14-7/h3-5,7,11-12H,6H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol?
8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 210.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 82886324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).