4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol

C17H21NO2 — CID 115982097

IUPAC4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
SMILESCc1cccnc1COc1ccc(CCC(C)O)cc1
InChIInChI=1S/C17H21NO2/c1-13-4-3-11-18-17(13)12-20-16-9-7-15(8-10-16)6-5-14(2)19/h3-4,7-11,14,19H,5-6,12H2,1-2H3
InChIKeyLAOUHXLPEDFGJL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds6

About 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol

4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol (PubChem CID 115982097) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
PubChem CID115982097
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
SMILESCc1cccnc1COc1ccc(CCC(C)O)cc1
InChIInChI=1S/C17H21NO2/c1-13-4-3-11-18-17(13)12-20-16-9-7-15(8-10-16)6-5-14(2)19/h3-4,7-11,14,19H,5-6,12H2,1-2H3
InChIKeyLAOUHXLPEDFGJL-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-ol
CID 112650663
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
2-methyl-N-[[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 115981790
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
2-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 112650342
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
CID 112689131
[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanol
CID 112650634
1-[4-[(2-methylphenyl)methoxy]phenyl]propan-2-ol
CID 115496013
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
3-methyl-2-[[4-(2-pyridin-4-ylphenyl)phenoxy]methyl]pyridine
CID 67026425

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol (CID 115982097) is 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol is Cc1cccnc1COc1ccc(CCC(C)O)cc1.
What is the InChIKey of 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol?
The InChIKey is LAOUHXLPEDFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-4-3-11-18-17(13)12-20-16-9-7-15(8-10-16)6-5-14(2)19/h3-4,7-11,14,19H,5-6,12H2,1-2H3.
What are the key properties of 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol?
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol is sourced from PubChem (CID 115982097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).