2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol

C16H23NO2 — CID 574332

IUPAC2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CC2=CCN(C)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(18,12-13-8-10-17(2)11-9-13)14-4-6-15(19-3)7-5-14/h4-8,18H,9-12H2,1-3H3
InChIKeyBFNXCXLMWZUASW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol

2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol (PubChem CID 574332) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol
PubChem CID574332
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CC2=CCN(C)CC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(18,12-13-8-10-17(2)11-9-13)14-4-6-15(19-3)7-5-14/h4-8,18H,9-12H2,1-3H3
InChIKeyBFNXCXLMWZUASW-UHFFFAOYSA-N
XLogP2.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869305
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
4-[2-(4-methoxyphenyl)ethenyl]-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 2836402
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
CID 82045025
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)hydrazinyl]-2-oxoacetamide
CID 2252306
2-(4-methoxyphenyl)-1-thiophen-2-ylpropan-2-ol
CID 65145347
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720
[2-hydroxy-2-(4-methoxyphenyl)propyl] nitrate
CID 10751764
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol (CID 574332) is 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol is COc1ccc(C(C)(O)CC2=CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol?
The InChIKey is BFNXCXLMWZUASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(18,12-13-8-10-17(2)11-9-13)14-4-6-15(19-3)7-5-14/h4-8,18H,9-12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol?
2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol has a molecular weight of 261.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol is sourced from PubChem (CID 574332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).