[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol

C19H17NO2S — CID 58401560

IUPAC[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol
SMILESCOc1ccc(-c2cc(Sc3ccccc3)ccn2)c(CO)c1
InChIInChI=1S/C19H17NO2S/c1-22-15-7-8-18(14(11-15)13-21)19-12-17(9-10-20-19)23-16-5-3-2-4-6-16/h2-12,21H,13H2,1H3
InChIKeyGZDCMILHJOCOOG-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.40
Rot. Bonds5

About [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol

[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol (PubChem CID 58401560) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol
PubChem CID58401560
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol
SMILESCOc1ccc(-c2cc(Sc3ccccc3)ccn2)c(CO)c1
InChIInChI=1S/C19H17NO2S/c1-22-15-7-8-18(14(11-15)13-21)19-12-17(9-10-20-19)23-16-5-3-2-4-6-16/h2-12,21H,13H2,1H3
InChIKeyGZDCMILHJOCOOG-UHFFFAOYSA-N
XLogP4.40
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methoxy-2-(4-phenoxy-2-pyridinyl)phenyl]methanol
CID 58401719
(Z)-4-hydroxypent-3-en-2-one;[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)benzene-3-id-1-yl]methanol;platinum
CID 58401559
[2-(4-methoxy-2-phenylphenyl)-3-methyl-4-pyridinyl]methanol
CID 58401827
2-[2-(hydroxymethyl)-4-methoxyphenyl]sulfanylbenzoic acid
CID 2824958
[4-(4-methoxyphenyl)sulfanyl-2-pyridinyl]methanamine
CID 55155886
7-methoxy-4-phenylsulfanylquinoline
CID 59598389
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
1,3-dimethoxy-5-phenylsulfanylbenzene
CID 122365183
(5-methyl-2-pyridin-2-ylphenyl)methanol
CID 132605733
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 113368207
2-[(5-methoxy-2-phenylphenyl)methyl]-1H-imidazole
CID 91469919
[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 107713409

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol?
The IUPAC name of [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol (CID 58401560) is [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol.
What is the SMILES notation for [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol?
The canonical SMILES for [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol is COc1ccc(-c2cc(Sc3ccccc3)ccn2)c(CO)c1.
What is the InChIKey of [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol?
The InChIKey is GZDCMILHJOCOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-22-15-7-8-18(14(11-15)13-21)19-12-17(9-10-20-19)23-16-5-3-2-4-6-16/h2-12,21H,13H2,1H3.
What are the key properties of [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol?
[5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol has a molecular weight of 323.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(4-phenylsulfanyl-2-pyridinyl)phenyl]methanol is sourced from PubChem (CID 58401560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).