3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol

C17H18O2 — CID 61029183

IUPAC3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESCC(C)COc1ccc2ccccc2c1C#CCO
InChIInChI=1S/C17H18O2/c1-13(2)12-19-17-10-9-14-6-3-4-7-15(14)16(17)8-5-11-18/h3-4,6-7,9-10,13,18H,11-12H2,1-2H3
InChIKeyLEBQIRCRTKXGEI-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.22
Rot. Bonds3

About 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol

3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol (PubChem CID 61029183) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
PubChem CID61029183
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESCC(C)COc1ccc2ccccc2c1C#CCO
InChIInChI=1S/C17H18O2/c1-13(2)12-19-17-10-9-14-6-3-4-7-15(14)16(17)8-5-11-18/h3-4,6-7,9-10,13,18H,11-12H2,1-2H3
InChIKeyLEBQIRCRTKXGEI-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-methylbutoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 62105890
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 81114610
1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485554
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 63937091
4-(2-phenylmethoxynaphthalen-1-yl)but-3-yn-1-ol
CID 61029666
4-(2-pentan-2-yloxynaphthalen-1-yl)but-3-yn-1-ol
CID 107885344
2-ethoxy-1-ethynylnaphthalene
CID 53434223
1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
CID 80696092
1-(3-chloroprop-1-ynyl)-2-pentan-2-yloxynaphthalene
CID 107885385
1-hepta-1,6-diynyl-2-methoxynaphthalene
CID 46845898

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol (CID 61029183) is 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol is CC(C)COc1ccc2ccccc2c1C#CCO.
What is the InChIKey of 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The InChIKey is LEBQIRCRTKXGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)12-19-17-10-9-14-6-3-4-7-15(14)16(17)8-5-11-18/h3-4,6-7,9-10,13,18H,11-12H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol has a molecular weight of 254.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol is sourced from PubChem (CID 61029183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).