(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol

C17H21NO2 — CID 122542919

IUPAC(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol
SMILESCCC[C@@H](O)c1cccc(OCCc2ccccc2)n1
InChIInChI=1S/C17H21NO2/c1-2-7-16(19)15-10-6-11-17(18-15)20-13-12-14-8-4-3-5-9-14/h3-6,8-11,16,19H,2,7,12-13H2,1H3/t16-/m1/s1
InChIKeyNRMYCHNGQHQVMW-MRXNPFEDSA-N
MW271.36 g/mol
LogP3.54
Rot. Bonds7

About (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol

(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol (PubChem CID 122542919) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol
PubChem CID122542919
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol
SMILESCCC[C@@H](O)c1cccc(OCCc2ccccc2)n1
InChIInChI=1S/C17H21NO2/c1-2-7-16(19)15-10-6-11-17(18-15)20-13-12-14-8-4-3-5-9-14/h3-6,8-11,16,19H,2,7,12-13H2,1H3/t16-/m1/s1
InChIKeyNRMYCHNGQHQVMW-MRXNPFEDSA-N
XLogP3.54
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2-phenylethoxy)-2-pyridinyl]methanol
CID 115000798
6-(2-phenylethoxy)pyridin-2-amine
CID 141303367
6-(2-phenylethoxy)pyridine-2-carboxylic acid
CID 115001122
2,6-dibutoxypyridine
CID 67437244
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate
CID 156856327
2-ethoxy-6-(2-phenylethoxy)pyridin-3-amine
CID 43262503
1-(6-chloro-2-pyridinyl)-2-[[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol
CID 88514711
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
CID 103348199
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol?
The IUPAC name of (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol (CID 122542919) is (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol.
What is the SMILES notation for (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol?
The canonical SMILES for (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol is CCC[C@@H](O)c1cccc(OCCc2ccccc2)n1.
What is the InChIKey of (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol?
The InChIKey is NRMYCHNGQHQVMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-7-16(19)15-10-6-11-17(18-15)20-13-12-14-8-4-3-5-9-14/h3-6,8-11,16,19H,2,7,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol?
(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol is sourced from PubChem (CID 122542919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).