(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol

C20H27NO — CID 125488024

IUPAC(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
SMILESCCc1ccc(CCC[C@](O)(c2ccccc2)C(C)C)nc1
InChIInChI=1S/C20H27NO/c1-4-17-12-13-19(21-15-17)11-8-14-20(22,16(2)3)18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16,22H,4,8,11,14H2,1-3H3/t20-/m1/s1
InChIKeyUMMHGFFRBUNJOB-HXUWFJFHSA-N
MW297.44 g/mol
LogP4.51
Rot. Bonds7

About (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol

(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol (PubChem CID 125488024) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol.

Molecular Properties

Compound Name(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
PubChem CID125488024
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol
SMILESCCc1ccc(CCC[C@](O)(c2ccccc2)C(C)C)nc1
InChIInChI=1S/C20H27NO/c1-4-17-12-13-19(21-15-17)11-8-14-20(22,16(2)3)18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16,22H,4,8,11,14H2,1-3H3/t20-/m1/s1
InChIKeyUMMHGFFRBUNJOB-HXUWFJFHSA-N
XLogP4.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
5-(5-ethyl-2-pyridinyl)-N-methylpentan-2-amine
CID 79737887
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
2-[3-[3-(5-ethyl-2-pyridinyl)propoxy]phenyl]-2-methoxypropanoic acid
CID 19086927
1-fluoro-4-methyl-3-phenylpentan-3-ol
CID 156689206
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
CID 125487866
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
2-(4-ethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79739586
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865
5-ethyl-2-(2-phenylsulfanylethyl)pyridine;hydrochloride
CID 54609233
CID 89318794
CID 89318794

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol?
The IUPAC name of (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol (CID 125488024) is (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol.
What is the SMILES notation for (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol?
The canonical SMILES for (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol is CCc1ccc(CCC[C@](O)(c2ccccc2)C(C)C)nc1.
What is the InChIKey of (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol?
The InChIKey is UMMHGFFRBUNJOB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-17-12-13-19(21-15-17)11-8-14-20(22,16(2)3)18-9-6-5-7-10-18/h5-7,9-10,12-13,15-16,22H,4,8,11,14H2,1-3H3/t20-/m1/s1.
What are the key properties of (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol?
(3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol has a molecular weight of 297.44 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(5-ethyl-2-pyridinyl)-2-methyl-3-phenylhexan-3-ol is sourced from PubChem (CID 125488024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).