2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol

C14H15NO3 — CID 129363897

IUPAC2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
SMILESOc1ccc(O)c(CC[C@@H](O)c2ccccn2)c1
InChIInChI=1S/C14H15NO3/c16-11-5-7-13(17)10(9-11)4-6-14(18)12-3-1-2-8-15-12/h1-3,5,7-9,14,16-18H,4,6H2/t14-/m1/s1
InChIKeySZRZYTXQRGHZMB-CQSZACIVSA-N
MW245.28 g/mol
LogP2.16
Rot. Bonds4

About 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol

2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol (PubChem CID 129363897) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
PubChem CID129363897
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
SMILESOc1ccc(O)c(CC[C@@H](O)c2ccccn2)c1
InChIInChI=1S/C14H15NO3/c16-11-5-7-13(17)10(9-11)4-6-14(18)12-3-1-2-8-15-12/h1-3,5,7-9,14,16-18H,4,6H2/t14-/m1/s1
InChIKeySZRZYTXQRGHZMB-CQSZACIVSA-N
XLogP2.16
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
(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
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
CID 172780589
CID 172780589
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
1,2-dipyridin-2-ylethanol
CID 11458306
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol?
The IUPAC name of 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol (CID 129363897) is 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol?
The canonical SMILES for 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol is Oc1ccc(O)c(CC[C@@H](O)c2ccccn2)c1.
What is the InChIKey of 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol?
The InChIKey is SZRZYTXQRGHZMB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15NO3/c16-11-5-7-13(17)10(9-11)4-6-14(18)12-3-1-2-8-15-12/h1-3,5,7-9,14,16-18H,4,6H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol?
2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol has a molecular weight of 245.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol is sourced from PubChem (CID 129363897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).