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

C16H16OS — CID 59021705

IUPAC(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1CCCc2cc(Sc3ccccc3)ccc21
InChIInChI=1S/C16H16OS/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h1-3,6-7,9-11,16-17H,4-5,8H2/t16-/m1/s1
InChIKeyDUOKIPYRICOTEZ-MRXNPFEDSA-N
MW256.37 g/mol
LogP4.21
Rot. Bonds2

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

(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 59021705) has the molecular formula C16H16OS and a molecular weight of 256.37 g/mol. Its IUPAC name is (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID59021705
Molecular FormulaC16H16OS
Molecular Weight256.37 g/mol
Exact Mass256.09
IUPAC Name(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1CCCc2cc(Sc3ccccc3)ccc21
InChIInChI=1S/C16H16OS/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h1-3,6-7,9-11,16-17H,4-5,8H2/t16-/m1/s1
InChIKeyDUOKIPYRICOTEZ-MRXNPFEDSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylazanium
CID 147928547
6-phenyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 126542656
N,N-dimethyl-2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 143248318
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
ethyl 2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetate
CID 143248362
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66755890
N-methyl-6-(3-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 172842465
6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410347
3-[(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104942
6-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410358
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926

Frequently Asked Questions

What is the IUPAC name of (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 59021705) is (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1CCCc2cc(Sc3ccccc3)ccc21.
What is the InChIKey of (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DUOKIPYRICOTEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16OS/c17-16-8-4-5-12-11-14(9-10-15(12)16)18-13-6-2-1-3-7-13/h1-3,6-7,9-11,16-17H,4-5,8H2/t16-/m1/s1.
What are the key properties of (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 256.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 59021705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).