3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol

C17H17NO2 — CID 102878082

IUPAC3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCc1cncc(COc2ccc(C#CCO)cc2C)c1
InChIInChI=1S/C17H17NO2/c1-13-8-16(11-18-10-13)12-20-17-6-5-15(4-3-7-19)9-14(17)2/h5-6,8-11,19H,7,12H2,1-2H3
InChIKeySHYSWQCFFXGEAN-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.62
Rot. Bonds3

About 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol

3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 102878082) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID102878082
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCc1cncc(COc2ccc(C#CCO)cc2C)c1
InChIInChI=1S/C17H17NO2/c1-13-8-16(11-18-10-13)12-20-17-6-5-15(4-3-7-19)9-14(17)2/h5-6,8-11,19H,7,12H2,1-2H3
InChIKeySHYSWQCFFXGEAN-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]but-3-yn-1-ol
CID 102878083
3-[4-[(4-chlorophenyl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214756
3-[3-methyl-4-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55163271
3-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methylphenyl]prop-2-yn-1-ol
CID 63214836
3-[3-methyl-4-(2-pyridin-3-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63262710
3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
CID 60799682
4-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 63214547
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
CID 102881171
3-(3-methyl-4-nonoxyphenyl)prop-2-yn-1-ol
CID 63418820
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-ol
CID 63214275
3-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 103012802
3-[[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]methyl]-5-methylpyridine
CID 102878103

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol (CID 102878082) is 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol is Cc1cncc(COc2ccc(C#CCO)cc2C)c1.
What is the InChIKey of 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is SHYSWQCFFXGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-8-16(11-18-10-13)12-20-17-6-5-15(4-3-7-19)9-14(17)2/h5-6,8-11,19H,7,12H2,1-2H3.
What are the key properties of 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol?
3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 267.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 102878082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).