(3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol

C17H21NO4 — CID 3044481

IUPAC(3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2nccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C17H21NO4/c1-10-6-7-18-15(11(10)2)16(19)12-8-13(20-3)17(22-5)14(9-12)21-4/h6-9,16,19H,1-5H3
InChIKeyUMGQVIOGHDLFBI-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.81
Rot. Bonds5

About (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol

(3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 3044481) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol
PubChem CID3044481
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name(3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc(C(O)c2nccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C17H21NO4/c1-10-6-7-18-15(11(10)2)16(19)12-8-13(20-3)17(22-5)14(9-12)21-4/h6-9,16,19H,1-5H3
InChIKeyUMGQVIOGHDLFBI-UHFFFAOYSA-N
XLogP2.81
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol (CID 3044481) is (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol is COc1cc(C(O)c2nccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is UMGQVIOGHDLFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-10-6-7-18-15(11(10)2)16(19)12-8-13(20-3)17(22-5)14(9-12)21-4/h6-9,16,19H,1-5H3.
What are the key properties of (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol?
(3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 303.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 3044481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).