2-methyl-3-prop-2-ynoxynaphthalene

C14H12O — CID 167077991

IUPAC2-methyl-3-prop-2-ynoxynaphthalene
SMILESC#CCOc1cc2ccccc2cc1C
InChIInChI=1S/C14H12O/c1-3-8-15-14-10-13-7-5-4-6-12(13)9-11(14)2/h1,4-7,9-10H,8H2,2H3
InChIKeyOWOXOJBLELEUAA-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.16
Rot. Bonds2

About 2-methyl-3-prop-2-ynoxynaphthalene

2-methyl-3-prop-2-ynoxynaphthalene (PubChem CID 167077991) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-3-prop-2-ynoxynaphthalene.

Molecular Properties

Compound Name2-methyl-3-prop-2-ynoxynaphthalene
PubChem CID167077991
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-methyl-3-prop-2-ynoxynaphthalene
SMILESC#CCOc1cc2ccccc2cc1C
InChIInChI=1S/C14H12O/c1-3-8-15-14-10-13-7-5-4-6-12(13)9-11(14)2/h1,4-7,9-10H,8H2,2H3
InChIKeyOWOXOJBLELEUAA-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-ynoxynaphthalene?
The IUPAC name of 2-methyl-3-prop-2-ynoxynaphthalene (CID 167077991) is 2-methyl-3-prop-2-ynoxynaphthalene.
What is the SMILES notation for 2-methyl-3-prop-2-ynoxynaphthalene?
The canonical SMILES for 2-methyl-3-prop-2-ynoxynaphthalene is C#CCOc1cc2ccccc2cc1C.
What is the InChIKey of 2-methyl-3-prop-2-ynoxynaphthalene?
The InChIKey is OWOXOJBLELEUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-3-8-15-14-10-13-7-5-4-6-12(13)9-11(14)2/h1,4-7,9-10H,8H2,2H3.
What are the key properties of 2-methyl-3-prop-2-ynoxynaphthalene?
2-methyl-3-prop-2-ynoxynaphthalene has a molecular weight of 196.25 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-ynoxynaphthalene is sourced from PubChem (CID 167077991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).