1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol

C16H19NO2 — CID 63651512

IUPAC1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCCc2cccnc2)c1
InChIInChI=1S/C16H19NO2/c1-12-5-6-15(13(2)18)16(10-12)19-9-7-14-4-3-8-17-11-14/h3-6,8,10-11,13,18H,7,9H2,1-2H3
InChIKeyCCUQWBBSQMKNAK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol

1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol (PubChem CID 63651512) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
PubChem CID63651512
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol
SMILESCc1ccc(C(C)O)c(OCCc2cccnc2)c1
InChIInChI=1S/C16H19NO2/c1-12-5-6-15(13(2)18)16(10-12)19-9-7-14-4-3-8-17-11-14/h3-6,8,10-11,13,18H,7,9H2,1-2H3
InChIKeyCCUQWBBSQMKNAK-UHFFFAOYSA-N
XLogP3.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 63650901
1-[4-bromo-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 102946417
3-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine chloride
CID 53347743
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
N-[1-[5-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethylidene]hydroxylamine
CID 76991199
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
(1R)-1-(4-methyl-2-nonoxyphenyl)ethanol
CID 78947128
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
1-[4-methyl-2-(3-methylbut-3-enoxy)phenyl]ethanol
CID 114472830
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol?
The IUPAC name of 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol (CID 63651512) is 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol is Cc1ccc(C(C)O)c(OCCc2cccnc2)c1.
What is the InChIKey of 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol?
The InChIKey is CCUQWBBSQMKNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-6-15(13(2)18)16(10-12)19-9-7-14-4-3-8-17-11-14/h3-6,8,10-11,13,18H,7,9H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol?
1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol has a molecular weight of 257.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(2-pyridin-3-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 63651512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).