2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol

C16H23NO2 — CID 79360586

IUPAC2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
SMILESCC(C)(O)CCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,18)9-12-19-15-5-3-13(4-6-15)14-7-10-17-11-8-14/h3-7,17-18H,8-12H2,1-2H3
InChIKeyPDEVHTCZUFNXNY-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol

2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol (PubChem CID 79360586) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
PubChem CID79360586
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
SMILESCC(C)(O)CCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,18)9-12-19-15-5-3-13(4-6-15)14-7-10-17-11-8-14/h3-7,17-18H,8-12H2,1-2H3
InChIKeyPDEVHTCZUFNXNY-UHFFFAOYSA-N
XLogP2.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol
CID 61070146
4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 61485190
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 65176251
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
4-(4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79361726
N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 43309518
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
CID 82865684
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 18070580
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol (CID 79360586) is 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol is CC(C)(O)CCOc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol?
The InChIKey is PDEVHTCZUFNXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,18)9-12-19-15-5-3-13(4-6-15)14-7-10-17-11-8-14/h3-7,17-18H,8-12H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol?
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol is sourced from PubChem (CID 79360586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).