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

C11H14O3S — CID 175738988

IUPAC7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCS(=O)(=O)c1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C11H14O3S/c1-15(13,14)9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11-12H,2-4H2,1H3
InChIKeyKBUQDRQORFOQII-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.46
Rot. Bonds1

About 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol

7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 175738988) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID175738988
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCS(=O)(=O)c1ccc2c(c1)C(O)CCC2
InChIInChI=1S/C11H14O3S/c1-15(13,14)9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11-12H,2-4H2,1H3
InChIKeyKBUQDRQORFOQII-UHFFFAOYSA-N
XLogP1.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylsulfonyl-2,3-dihydro-1H-indene-1-carboxylic acid
CID 70832765
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
(7-methylsulfonyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanamine
CID 68565026

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 175738988) is 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol is CS(=O)(=O)c1ccc2c(c1)C(O)CCC2.
What is the InChIKey of 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is KBUQDRQORFOQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-15(13,14)9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11-12H,2-4H2,1H3.
What are the key properties of 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol?
7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 226.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 175738988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).