3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol

C18H23NO3 — CID 82185316

IUPAC3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1ccc(CCC(O)c2ccccn2)cc1OC(C)C
InChIInChI=1S/C18H23NO3/c1-13(2)22-18-12-14(8-10-17(18)21-3)7-9-16(20)15-6-4-5-11-19-15/h4-6,8,10-13,16,20H,7,9H2,1-3H3
InChIKeyZGBMZHSWOFFTPA-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.54
Rot. Bonds7

About 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol

3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol (PubChem CID 82185316) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
PubChem CID82185316
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1ccc(CCC(O)c2ccccn2)cc1OC(C)C
InChIInChI=1S/C18H23NO3/c1-13(2)22-18-12-14(8-10-17(18)21-3)7-9-16(20)15-6-4-5-11-19-15/h4-6,8,10-13,16,20H,7,9H2,1-3H3
InChIKeyZGBMZHSWOFFTPA-UHFFFAOYSA-N
XLogP3.54
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185677
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-phenylbutan-2-amine
CID 51989816
N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]aniline
CID 39371034
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
4-(4-methoxy-3-propan-2-yloxyphenyl)-2-oxobutanoic acid
CID 82185777
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
CID 129382233

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol (CID 82185316) is 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol is COc1ccc(CCC(O)c2ccccn2)cc1OC(C)C.
What is the InChIKey of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The InChIKey is ZGBMZHSWOFFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(2)22-18-12-14(8-10-17(18)21-3)7-9-16(20)15-6-4-5-11-19-15/h4-6,8,10-13,16,20H,7,9H2,1-3H3.
What are the key properties of 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol?
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 301.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 82185316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).