(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol

C16H19NO3 — CID 129383049

IUPAC(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1ccc(CC[C@H](O)c2ccccn2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-13-8-6-12(16(11-13)20-2)7-9-15(18)14-5-3-4-10-17-14/h3-6,8,10-11,15,18H,7,9H2,1-2H3/t15-/m0/s1
InChIKeyVHMLFRIBRRSZKU-HNNXBMFYSA-N
MW273.33 g/mol
LogP2.77
Rot. Bonds6

About (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol

(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol (PubChem CID 129383049) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
PubChem CID129383049
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1ccc(CC[C@H](O)c2ccccn2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-19-13-8-6-12(16(11-13)20-2)7-9-15(18)14-5-3-4-10-17-14/h3-6,8,10-11,15,18H,7,9H2,1-2H3/t15-/m0/s1
InChIKeyVHMLFRIBRRSZKU-HNNXBMFYSA-N
XLogP2.77
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185316
4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
CID 129383158
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
CID 129382233
2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
CID 129363897
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
1-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
CID 21120027
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol (CID 129383049) is (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol is COc1ccc(CC[C@H](O)c2ccccn2)c(OC)c1.
What is the InChIKey of (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The InChIKey is VHMLFRIBRRSZKU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-19-13-8-6-12(16(11-13)20-2)7-9-15(18)14-5-3-4-10-17-14/h3-6,8,10-11,15,18H,7,9H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 273.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 129383049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).