4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol

C12H16O3S — CID 115420349

IUPAC4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(S(C)(=O)=O)C(O)c2ccccc21
InChIInChI=1S/C12H16O3S/c1-8-7-11(16(2,14)15)12(13)10-6-4-3-5-9(8)10/h3-6,8,11-13H,7H2,1-2H3
InChIKeyYGOOOFCMDLVOLF-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.64
Rot. Bonds1

About 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol

4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420349) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420349
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(S(C)(=O)=O)C(O)c2ccccc21
InChIInChI=1S/C12H16O3S/c1-8-7-11(16(2,14)15)12(13)10-6-4-3-5-9(8)10/h3-6,8,11-13H,7H2,1-2H3
InChIKeyYGOOOFCMDLVOLF-UHFFFAOYSA-N
XLogP1.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759768
2-[ethyl(methyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419992
N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420263
(1R,3R)-2-methyl-2,3-dihydro-1H-indene-1,3-diol
CID 10535021
4-methyl-2-propoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420176
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
8-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol
CID 12561909
(2-methylsulfonylcyclopropyl)benzene
CID 89149052
2-(3-methyl-2,3-dihydro-1H-inden-1-yl)phenol
CID 174602517

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420349) is 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC(S(C)(=O)=O)C(O)c2ccccc21.
What is the InChIKey of 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YGOOOFCMDLVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-8-7-11(16(2,14)15)12(13)10-6-4-3-5-9(8)10/h3-6,8,11-13H,7H2,1-2H3.
What are the key properties of 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 240.32 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).