3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol

C12H16OS — CID 105356533

IUPAC3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
SMILESCC(C)C1SCc2ccccc2C1O
InChIInChI=1S/C12H16OS/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12/h3-6,8,11-13H,7H2,1-2H3
InChIKeySXLCQMFLGKSBNE-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.99
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol

3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol (PubChem CID 105356533) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
PubChem CID105356533
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
SMILESCC(C)C1SCc2ccccc2C1O
InChIInChI=1S/C12H16OS/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12/h3-6,8,11-13H,7H2,1-2H3
InChIKeySXLCQMFLGKSBNE-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356551
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356779
3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356578
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
4-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369546
8-bromo-5-fluoro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 105356548
2-(2-methylpentyl)-2,3-dihydro-1H-inden-1-ol
CID 62264698

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol (CID 105356533) is 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol is CC(C)C1SCc2ccccc2C1O.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol?
The InChIKey is SXLCQMFLGKSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-14-12/h3-6,8,11-13H,7H2,1-2H3.
What are the key properties of 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol?
3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol has a molecular weight of 208.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol is sourced from PubChem (CID 105356533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).