4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol

C18H21NO3 — CID 57267140

IUPAC4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
SMILESCOc1ccc(-c2ccnc(C)c2O)cc1OC1CCCC1
InChIInChI=1S/C18H21NO3/c1-12-18(20)15(9-10-19-12)13-7-8-16(21-2)17(11-13)22-14-5-3-4-6-14/h7-11,14,20H,3-6H2,1-2H3
InChIKeyPXKJRCUCELCGDC-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.09
Rot. Bonds4

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol

4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol (PubChem CID 57267140) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
PubChem CID57267140
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
SMILESCOc1ccc(-c2ccnc(C)c2O)cc1OC1CCCC1
InChIInChI=1S/C18H21NO3/c1-12-18(20)15(9-10-19-12)13-7-8-16(21-2)17(11-13)22-14-5-3-4-6-14/h7-11,14,20H,3-6H2,1-2H3
InChIKeyPXKJRCUCELCGDC-UHFFFAOYSA-N
XLogP4.09
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol (CID 57267140) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol is COc1ccc(-c2ccnc(C)c2O)cc1OC1CCCC1.
What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol?
The InChIKey is PXKJRCUCELCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-18(20)15(9-10-19-12)13-7-8-16(21-2)17(11-13)22-14-5-3-4-6-14/h7-11,14,20H,3-6H2,1-2H3.
What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol?
4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol has a molecular weight of 299.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 57267140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).