4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol

C19H25NO3 — CID 67683103

IUPAC4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol
SMILESCOCOc1ccc(Cc2c(C)cc(O)cc2C)nc1C(C)C
InChIInChI=1S/C19H25NO3/c1-12(2)19-18(23-11-22-5)7-6-15(20-19)10-17-13(3)8-16(21)9-14(17)4/h6-9,12,21H,10-11H2,1-5H3
InChIKeyXKASRBSUJXADEP-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.10
Rot. Bonds6

About 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol

4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol (PubChem CID 67683103) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol.

Molecular Properties

Compound Name4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol
PubChem CID67683103
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol
SMILESCOCOc1ccc(Cc2c(C)cc(O)cc2C)nc1C(C)C
InChIInChI=1S/C19H25NO3/c1-12(2)19-18(23-11-22-5)7-6-15(20-19)10-17-13(3)8-16(21)9-14(17)4/h6-9,12,21H,10-11H2,1-5H3
InChIKeyXKASRBSUJXADEP-UHFFFAOYSA-N
XLogP4.10
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol?
The IUPAC name of 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol (CID 67683103) is 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol.
What is the SMILES notation for 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol?
The canonical SMILES for 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol is COCOc1ccc(Cc2c(C)cc(O)cc2C)nc1C(C)C.
What is the InChIKey of 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol?
The InChIKey is XKASRBSUJXADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12(2)19-18(23-11-22-5)7-6-15(20-19)10-17-13(3)8-16(21)9-14(17)4/h6-9,12,21H,10-11H2,1-5H3.
What are the key properties of 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol?
4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol has a molecular weight of 315.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(methoxymethoxy)-6-propan-2-yl-2-pyridinyl]methyl]-3,5-dimethylphenol is sourced from PubChem (CID 67683103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).