(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C16H16O3S — CID 59850114

IUPAC(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)CCC[C@H]2O
InChIInChI=1S/C16H16O3S/c17-16-8-4-5-12-11-14(9-10-15(12)16)20(18,19)13-6-2-1-3-7-13/h1-3,6-7,9-11,16-17H,4-5,8H2/t16-/m1/s1
InChIKeyNYMJBWLZLFBQLX-MRXNPFEDSA-N
MW288.37 g/mol
LogP2.89
Rot. Bonds2

About (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 59850114) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID59850114
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO=S(=O)(c1ccccc1)c1ccc2c(c1)CCC[C@H]2O
InChIInChI=1S/C16H16O3S/c17-16-8-4-5-12-11-14(9-10-15(12)16)20(18,19)13-6-2-1-3-7-13/h1-3,6-7,9-11,16-17H,4-5,8H2/t16-/m1/s1
InChIKeyNYMJBWLZLFBQLX-MRXNPFEDSA-N
XLogP2.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
2-(trifluoromethylsulfonyl)-6,11-dihydro-5H-dibenzo[1,3-e:1',2'-f][7]annulen-11-ol
CID 44142125
1-(Naphthalene-2-sulfinyl)-2-phenylpentan-2-ol
CID 217179
2-(Naphthalene-2-sulfinyl)-1,1-diphenylethan-1-ol
CID 217181
Cinnamyl alcohol, alpha-((2-naphthylsulfinyl)methyl)-alpha-phenyl-
CID 6445654
Phenyl[2-(phenylsulfonyl)phenyl]methanol
CID 555704
3-(Benzenesulfonyl)-2-fluoro-1-phenylhex-2-en-1-ol
CID 134853381
(E)-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
CID 14296283
(E)-2-(4-methylphenyl)sulfonyl-1-phenylpent-2-ene-1,4-diol
CID 14296288
(E)-3-methyl-2-(4-methylphenyl)sulfonyl-1-phenylbut-2-ene-1,4-diol
CID 14296292
(1R,2R)-3-(benzenesulfonyl)-2-methyl-1-phenylbut-3-en-1-ol
CID 14891589

Frequently Asked Questions

What is the IUPAC name of (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 59850114) is (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol is O=S(=O)(c1ccccc1)c1ccc2c(c1)CCC[C@H]2O.
What is the InChIKey of (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is NYMJBWLZLFBQLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O3S/c17-16-8-4-5-12-11-14(9-10-15(12)16)20(18,19)13-6-2-1-3-7-13/h1-3,6-7,9-11,16-17H,4-5,8H2/t16-/m1/s1.
What are the key properties of (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 288.37 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 59850114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).