3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol

C16H17NO2 — CID 142537242

IUPAC3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol
SMILESCc1cc(O)cc(-c2ccc(OCC3CC3)nc2)c1
InChIInChI=1S/C16H17NO2/c1-11-6-14(8-15(18)7-11)13-4-5-16(17-9-13)19-10-12-2-3-12/h4-9,12,18H,2-3,10H2,1H3
InChIKeyDLKRXLKSYHTOAW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.55
Rot. Bonds4

About 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol

3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol (PubChem CID 142537242) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol.

Molecular Properties

Compound Name3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol
PubChem CID142537242
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol
SMILESCc1cc(O)cc(-c2ccc(OCC3CC3)nc2)c1
InChIInChI=1S/C16H17NO2/c1-11-6-14(8-15(18)7-11)13-4-5-16(17-9-13)19-10-12-2-3-12/h4-9,12,18H,2-3,10H2,1H3
InChIKeyDLKRXLKSYHTOAW-UHFFFAOYSA-N
XLogP3.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(cyclobutylmethoxy)-3-pyridinyl]phenol
CID 142537246
[(1R)-5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,2-dimethyl-1,3-dihydroinden-1-yl]carbamic acid
CID 174172375
5-chloro-2-(cyclopropylmethoxy)pyridine
CID 66234565
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
1-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111899891
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine
CID 141382294
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine
CID 110917760
[3-methyl-5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]phenyl]methanol
CID 171674001
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 110917759
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 110917758
5-bromo-2-(cyclopentylmethoxy)-4-methylpyridine
CID 114870777

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol?
The IUPAC name of 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol (CID 142537242) is 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol.
What is the SMILES notation for 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol?
The canonical SMILES for 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol is Cc1cc(O)cc(-c2ccc(OCC3CC3)nc2)c1.
What is the InChIKey of 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol?
The InChIKey is DLKRXLKSYHTOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-6-14(8-15(18)7-11)13-4-5-16(17-9-13)19-10-12-2-3-12/h4-9,12,18H,2-3,10H2,1H3.
What are the key properties of 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol?
3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol has a molecular weight of 255.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethoxy)-3-pyridinyl]-5-methylphenol is sourced from PubChem (CID 142537242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).