(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol

C15H17NO2 — CID 93476587

IUPAC(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1ccccc1CC[C@H](O)c1ccccn1
InChIInChI=1S/C15H17NO2/c1-18-15-8-3-2-6-12(15)9-10-14(17)13-7-4-5-11-16-13/h2-8,11,14,17H,9-10H2,1H3/t14-/m0/s1
InChIKeyCBLRXKXDXRIBOE-AWEZNQCLSA-N
MW243.31 g/mol
LogP2.76
Rot. Bonds5

About (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol

(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol (PubChem CID 93476587) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
PubChem CID93476587
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
SMILESCOc1ccccc1CC[C@H](O)c1ccccn1
InChIInChI=1S/C15H17NO2/c1-18-15-8-3-2-6-12(15)9-10-14(17)13-7-4-5-11-16-13/h2-8,11,14,17H,9-10H2,1H3/t14-/m0/s1
InChIKeyCBLRXKXDXRIBOE-AWEZNQCLSA-N
XLogP2.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
CID 129382233
3-(4-methoxy-3-propan-2-yloxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185316
3-(2-methoxyphenyl)-1-pyridin-3-ylpropan-1-ol
CID 82185446
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
5-(2-methoxyphenyl)pentane-2,3-diol
CID 83929090
4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
CID 129383158
2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
CID 129363897
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
4-(2-methoxyphenyl)-1-phenylbutan-1-ol
CID 64513742
1-[2-(2-methoxyphenyl)ethyl]-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36512185

Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol (CID 93476587) is (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol is COc1ccccc1CC[C@H](O)c1ccccn1.
What is the InChIKey of (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
The InChIKey is CBLRXKXDXRIBOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2/c1-18-15-8-3-2-6-12(15)9-10-14(17)13-7-4-5-11-16-13/h2-8,11,14,17H,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol?
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 93476587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).