(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol

C16H19NO2 — CID 103433103

IUPAC(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol
SMILESCOc1c(C(O)c2ncccc2C)ccc(C)c1C
InChIInChI=1S/C16H19NO2/c1-10-7-8-13(16(19-4)12(10)3)15(18)14-11(2)6-5-9-17-14/h5-9,15,18H,1-4H3
InChIKeyQHZWMPBIGJYPSB-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.10
Rot. Bonds3

About (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol

(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol (PubChem CID 103433103) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol
PubChem CID103433103
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol
SMILESCOc1c(C(O)c2ncccc2C)ccc(C)c1C
InChIInChI=1S/C16H19NO2/c1-10-7-8-13(16(19-4)12(10)3)15(18)14-11(2)6-5-9-17-14/h5-9,15,18H,1-4H3
InChIKeyQHZWMPBIGJYPSB-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol (CID 103433103) is (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol is COc1c(C(O)c2ncccc2C)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol?
The InChIKey is QHZWMPBIGJYPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-7-8-13(16(19-4)12(10)3)15(18)14-11(2)6-5-9-17-14/h5-9,15,18H,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol?
(2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol has a molecular weight of 257.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-(3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 103433103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).