2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol

C17H26O3S — CID 116525905

IUPAC2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol
SMILESCC1(C)CCC(C)(C)c2cc(C(O)CS(C)(=O)=O)ccc21
InChIInChI=1S/C17H26O3S/c1-16(2)8-9-17(3,4)14-10-12(6-7-13(14)16)15(18)11-21(5,19)20/h6-7,10,15,18H,8-9,11H2,1-5H3
InChIKeyPJSREUXTSSIKHU-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.11
Rot. Bonds3

About 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol

2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol (PubChem CID 116525905) has the molecular formula C17H26O3S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol
PubChem CID116525905
Molecular FormulaC17H26O3S
Molecular Weight310.46 g/mol
Exact Mass310.16
IUPAC Name2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol
SMILESCC1(C)CCC(C)(C)c2cc(C(O)CS(C)(=O)=O)ccc21
InChIInChI=1S/C17H26O3S/c1-16(2)8-9-17(3,4)14-10-12(6-7-13(14)16)15(18)11-21(5,19)20/h6-7,10,15,18H,8-9,11H2,1-5H3
InChIKeyPJSREUXTSSIKHU-UHFFFAOYSA-N
XLogP3.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetic acid
CID 11184593
2,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-ol
CID 116525912
1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentanoic acid
CID 116525810
4-[2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid;methane
CID 158915208
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfonylethanol
CID 55110743
(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
CID 97177607
6-(1-chloroethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 71633194
6-[(1R)-1-chloroethyl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 97175249
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
3,3-dimethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butan-1-amine
CID 116525828
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol?
The IUPAC name of 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol (CID 116525905) is 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol is CC1(C)CCC(C)(C)c2cc(C(O)CS(C)(=O)=O)ccc21.
What is the InChIKey of 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol?
The InChIKey is PJSREUXTSSIKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3S/c1-16(2)8-9-17(3,4)14-10-12(6-7-13(14)16)15(18)11-21(5,19)20/h6-7,10,15,18H,8-9,11H2,1-5H3.
What are the key properties of 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol?
2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol has a molecular weight of 310.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanol is sourced from PubChem (CID 116525905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).