(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol

C17H21NOS — CID 124502131

IUPAC(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1cc(SC(C)(C)C)ncc1[C@H](O)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-12-10-15(20-17(2,3)4)18-11-14(12)16(19)13-8-6-5-7-9-13/h5-11,16,19H,1-4H3/t16-/m1/s1
InChIKeyOPNDOLRIGBLPSI-MRXNPFEDSA-N
MW287.43 g/mol
LogP4.36
Rot. Bonds3

About (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol

(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol (PubChem CID 124502131) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol
PubChem CID124502131
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1cc(SC(C)(C)C)ncc1[C@H](O)c1ccccc1
InChIInChI=1S/C17H21NOS/c1-12-10-15(20-17(2,3)4)18-11-14(12)16(19)13-8-6-5-7-9-13/h5-11,16,19H,1-4H3/t16-/m1/s1
InChIKeyOPNDOLRIGBLPSI-MRXNPFEDSA-N
XLogP4.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-methyl-6-phenoxy-3-pyridinyl)-phenylmethanol
CID 124501783
(S)-[6-(dimethylamino)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124501757
[4-methyl-6-(methylamino)-3-pyridinyl]-phenylmethanol
CID 102545191
[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-phenylmethanol
CID 102545154
(S)-[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 124501809
[4-methyl-6-(propylamino)-3-pyridinyl]-phenylmethanol
CID 102545295
(S)-[6-[ethyl(methyl)amino]-4-methyl-3-pyridinyl]-phenylmethanol
CID 124501822
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine
CID 102545780
(5-methyl-6-methylsulfanyl-3-pyridinyl)-phenylmethanol
CID 102544534
(S)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]-phenylmethanol
CID 124502145

Frequently Asked Questions

What is the IUPAC name of (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol?
The IUPAC name of (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol (CID 124502131) is (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol.
What is the SMILES notation for (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol?
The canonical SMILES for (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol is Cc1cc(SC(C)(C)C)ncc1[C@H](O)c1ccccc1.
What is the InChIKey of (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol?
The InChIKey is OPNDOLRIGBLPSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-10-15(20-17(2,3)4)18-11-14(12)16(19)13-8-6-5-7-9-13/h5-11,16,19H,1-4H3/t16-/m1/s1.
What are the key properties of (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol?
(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol has a molecular weight of 287.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol is sourced from PubChem (CID 124502131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).