(3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol

C22H23NO4S — CID 59936589

IUPAC(3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol
SMILESCOc1ccc(C(O)c2ccc(OCc3ccc(SC)cc3)nc2)cc1OC
InChIInChI=1S/C22H23NO4S/c1-25-19-10-6-16(12-20(19)26-2)22(24)17-7-11-21(23-13-17)27-14-15-4-8-18(28-3)9-5-15/h4-13,22,24H,14H2,1-3H3
InChIKeySLAHZLRNNFGQIR-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.48
Rot. Bonds8

About (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol

(3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol (PubChem CID 59936589) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol
PubChem CID59936589
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC Name(3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol
SMILESCOc1ccc(C(O)c2ccc(OCc3ccc(SC)cc3)nc2)cc1OC
InChIInChI=1S/C22H23NO4S/c1-25-19-10-6-16(12-20(19)26-2)22(24)17-7-11-21(23-13-17)27-14-15-4-8-18(28-3)9-5-15/h4-13,22,24H,14H2,1-3H3
InChIKeySLAHZLRNNFGQIR-UHFFFAOYSA-N
XLogP4.48
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,4-bis(difluoromethoxy)phenyl]-[6-[(4-methylsulfonylphenyl)methoxy]-3-pyridinyl]methanol
CID 21262801
5-bromo-2-[(4-methylsulfanylphenyl)methoxy]pyridine
CID 70248876
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
(4-fluorophenyl)-(6-methoxy-3-pyridinyl)methanol
CID 58882938
(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
bis(4-butoxy-3-methoxyphenyl)methanol
CID 71114416
(S)-(6-methoxy-3-pyridinyl)-phenylmethanol
CID 101469582
(3,4-dimethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722260
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(4-methylsulfanylphenyl)-(4-propylphenyl)methanol
CID 79217067

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol?
The IUPAC name of (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol (CID 59936589) is (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol is COc1ccc(C(O)c2ccc(OCc3ccc(SC)cc3)nc2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol?
The InChIKey is SLAHZLRNNFGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-25-19-10-6-16(12-20(19)26-2)22(24)17-7-11-21(23-13-17)27-14-15-4-8-18(28-3)9-5-15/h4-13,22,24H,14H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol?
(3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol has a molecular weight of 397.50 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[6-[(4-methylsulfanylphenyl)methoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 59936589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).