(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol

C17H21NO2 — CID 105131164

IUPAC(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCOc1ncccc1C(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H21NO2/c1-12(2)10-13-6-4-7-14(11-13)16(19)15-8-5-9-18-17(15)20-3/h4-9,11-12,16,19H,10H2,1-3H3
InChIKeyXFKAHESTSZFSNJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds5

About (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol

(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 105131164) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
PubChem CID105131164
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
SMILESCOc1ncccc1C(O)c1cccc(CC(C)C)c1
InChIInChI=1S/C17H21NO2/c1-12(2)10-13-6-4-7-14(11-13)16(19)15-8-5-9-18-17(15)20-3/h4-9,11-12,16,19H,10H2,1-3H3
InChIKeyXFKAHESTSZFSNJ-UHFFFAOYSA-N
XLogP3.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxy-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 106790968
(4-methoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 22934973
(4-ethoxyphenyl)-(2-methoxy-3-pyridinyl)methanol
CID 115605144
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
(3-ethylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105117216
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738
(2-methoxy-3-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105118483
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
(2-methoxy-3-pyridinyl)-quinolin-3-ylmethanol
CID 105079345
(2-methoxy-3-pyridinyl)-(2-propoxyphenyl)methanol
CID 105125991

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol (CID 105131164) is (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol is COc1ncccc1C(O)c1cccc(CC(C)C)c1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is XFKAHESTSZFSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)10-13-6-4-7-14(11-13)16(19)15-8-5-9-18-17(15)20-3/h4-9,11-12,16,19H,10H2,1-3H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol?
(2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 105131164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).