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

C14H15NO3 — CID 129383158

IUPAC4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
SMILESOc1ccc(CC[C@@H](O)c2ccccn2)c(O)c1
InChIInChI=1S/C14H15NO3/c16-11-6-4-10(14(18)9-11)5-7-13(17)12-3-1-2-8-15-12/h1-4,6,8-9,13,16-18H,5,7H2/t13-/m1/s1
InChIKeyGWAXIWCEVQESSU-CYBMUJFWSA-N
MW245.28 g/mol
LogP2.16
Rot. Bonds4

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

4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol (PubChem CID 129383158) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
PubChem CID129383158
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol
SMILESOc1ccc(CC[C@@H](O)c2ccccn2)c(O)c1
InChIInChI=1S/C14H15NO3/c16-11-6-4-10(14(18)9-11)5-7-13(17)12-3-1-2-8-15-12/h1-4,6,8-9,13,16-18H,5,7H2/t13-/m1/s1
InChIKeyGWAXIWCEVQESSU-CYBMUJFWSA-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

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Related Compounds

2-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,4-diol
CID 129363897
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
CID 129382233
(1S)-3-(2,4-dimethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 129383049
(1S)-3-(2-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 93476587
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
CID 172780589
CID 172780589
4-[3,5-bis(2,4-dihydroxyphenyl)pentyl]benzene-1,3-diol
CID 150895447
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol?
The IUPAC name of 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol (CID 129383158) is 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol?
The canonical SMILES for 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol is Oc1ccc(CC[C@@H](O)c2ccccn2)c(O)c1.
What is the InChIKey of 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol?
The InChIKey is GWAXIWCEVQESSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO3/c16-11-6-4-10(14(18)9-11)5-7-13(17)12-3-1-2-8-15-12/h1-4,6,8-9,13,16-18H,5,7H2/t13-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol?
4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-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 4-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,3-diol is sourced from PubChem (CID 129383158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).