(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol

C16H19NO2 — CID 125493756

IUPAC(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
SMILESCC[C@](O)(Cc1ccncc1)c1ccc(OC)cc1
InChIInChI=1S/C16H19NO2/c1-3-16(18,12-13-8-10-17-11-9-13)14-4-6-15(19-2)7-5-14/h4-11,18H,3,12H2,1-2H3/t16-/m0/s1
InChIKeyKZLIWMZRSMZGMX-INIZCTEOSA-N
MW257.33 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol

(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol (PubChem CID 125493756) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
PubChem CID125493756
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
SMILESCC[C@](O)(Cc1ccncc1)c1ccc(OC)cc1
InChIInChI=1S/C16H19NO2/c1-3-16(18,12-13-8-10-17-11-9-13)14-4-6-15(19-2)7-5-14/h4-11,18H,3,12H2,1-2H3/t16-/m0/s1
InChIKeyKZLIWMZRSMZGMX-INIZCTEOSA-N
XLogP2.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
3-[1-(4-methoxyphenyl)-2-methylbutan-2-yl]pyridine
CID 22978383
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol (CID 125493756) is (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol is CC[C@](O)(Cc1ccncc1)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol?
The InChIKey is KZLIWMZRSMZGMX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-16(18,12-13-8-10-17-11-9-13)14-4-6-15(19-2)7-5-14/h4-11,18H,3,12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol?
(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol has a molecular weight of 257.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 125493756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).