5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol

C16H23NO2 — CID 23651095

IUPAC5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol
SMILESCC1=CC(c2c(C)cc(O)cc2O)N(C(C)C)CC1
InChIInChI=1S/C16H23NO2/c1-10(2)17-6-5-11(3)7-14(17)16-12(4)8-13(18)9-15(16)19/h7-10,14,18-19H,5-6H2,1-4H3
InChIKeyGHFGFXOHQSQRKU-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.51
Rot. Bonds2

About 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol

5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol (PubChem CID 23651095) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol
PubChem CID23651095
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol
SMILESCC1=CC(c2c(C)cc(O)cc2O)N(C(C)C)CC1
InChIInChI=1S/C16H23NO2/c1-10(2)17-6-5-11(3)7-14(17)16-12(4)8-13(18)9-15(16)19/h7-10,14,18-19H,5-6H2,1-4H3
InChIKeyGHFGFXOHQSQRKU-UHFFFAOYSA-N
XLogP3.51
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol?
The IUPAC name of 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol (CID 23651095) is 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol.
What is the SMILES notation for 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol?
The canonical SMILES for 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol is CC1=CC(c2c(C)cc(O)cc2O)N(C(C)C)CC1.
What is the InChIKey of 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol?
The InChIKey is GHFGFXOHQSQRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-10(2)17-6-5-11(3)7-14(17)16-12(4)8-13(18)9-15(16)19/h7-10,14,18-19H,5-6H2,1-4H3.
What are the key properties of 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol?
5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol has a molecular weight of 261.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-6-yl)benzene-1,3-diol is sourced from PubChem (CID 23651095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).