(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol

C17H21NO — CID 125487866

IUPAC(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
SMILESCC[C@](O)(CCCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-17(19,15-9-4-3-5-10-15)13-8-12-16-11-6-7-14-18-16/h3-7,9-11,14,19H,2,8,12-13H2,1H3/t17-/m0/s1
InChIKeyCAHGGUIUQFIHKC-KRWDZBQOSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds6

About (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol

(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol (PubChem CID 125487866) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol.

Molecular Properties

Compound Name(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
PubChem CID125487866
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
SMILESCC[C@](O)(CCCc1ccccn1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-17(19,15-9-4-3-5-10-15)13-8-12-16-11-6-7-14-18-16/h3-7,9-11,14,19H,2,8,12-13H2,1H3/t17-/m0/s1
InChIKeyCAHGGUIUQFIHKC-KRWDZBQOSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylhexyl)pyridine
CID 57111041
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
2-(5,5-dimethylhexyl)pyridine
CID 151657269
2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
6-methylsulfonyl-3-phenylhexan-3-ol
CID 65146576
2-undecylpyridine
CID 66882765
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
CID 92532437
2-hexadecylpyridine;hydrate
CID 141211108
5-phenylundecan-5-ol
CID 175525363
chromium;2-pentylpyridine;hydrochloride
CID 175220071

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol?
The IUPAC name of (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol (CID 125487866) is (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol.
What is the SMILES notation for (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol?
The canonical SMILES for (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol is CC[C@](O)(CCCc1ccccn1)c1ccccc1.
What is the InChIKey of (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol?
The InChIKey is CAHGGUIUQFIHKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-17(19,15-9-4-3-5-10-15)13-8-12-16-11-6-7-14-18-16/h3-7,9-11,14,19H,2,8,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol?
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol has a molecular weight of 255.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol is sourced from PubChem (CID 125487866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).