(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol

C17H21NO2 — CID 125488191

IUPAC(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol
SMILESCC[C@](O)(c1ccc(OC)cc1)[C@@H](C)c1ccccn1
InChIInChI=1S/C17H21NO2/c1-4-17(19,13(2)16-7-5-6-12-18-16)14-8-10-15(20-3)11-9-14/h5-13,19H,4H2,1-3H3/t13-,17+/m0/s1
InChIKeyBWXBAMLCLCVZLQ-SUMWQHHRSA-N
MW271.36 g/mol
LogP3.49
Rot. Bonds5

About (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol

(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol (PubChem CID 125488191) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol.

Molecular Properties

Compound Name(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol
PubChem CID125488191
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol
SMILESCC[C@](O)(c1ccc(OC)cc1)[C@@H](C)c1ccccn1
InChIInChI=1S/C17H21NO2/c1-4-17(19,13(2)16-7-5-6-12-18-16)14-8-10-15(20-3)11-9-14/h5-13,19H,4H2,1-3H3/t13-,17+/m0/s1
InChIKeyBWXBAMLCLCVZLQ-SUMWQHHRSA-N
XLogP3.49
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-3-ol
CID 125488147
(2R,3R)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-2-ol
CID 125488478
(1S)-1-(4-methoxyphenyl)-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 129364593
(1R,2R)-1-cyclopropyl-1-(4-methoxyphenyl)-2-pyridin-2-ylbutan-1-ol
CID 125488551
2-ethyl-3-hydroxy-3-(4-methoxyphenyl)pentanoic acid
CID 62396819
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-ethyl-6-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 167579061
(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
CID 125488796
3-(4-methoxyphenoxy)-2-pyridin-2-ylpropan-1-amine
CID 112516627
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol?
The IUPAC name of (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol (CID 125488191) is (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol.
What is the SMILES notation for (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol?
The canonical SMILES for (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol is CC[C@](O)(c1ccc(OC)cc1)[C@@H](C)c1ccccn1.
What is the InChIKey of (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol?
The InChIKey is BWXBAMLCLCVZLQ-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-17(19,13(2)16-7-5-6-12-18-16)14-8-10-15(20-3)11-9-14/h5-13,19H,4H2,1-3H3/t13-,17+/m0/s1.
What are the key properties of (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol?
(2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol has a molecular weight of 271.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-methoxyphenyl)-2-pyridin-2-ylpentan-3-ol is sourced from PubChem (CID 125488191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).