1-methyl-7-(prop-2-ynoxymethyl)naphthalene

C15H14O — CID 170199430

IUPAC1-methyl-7-(prop-2-ynoxymethyl)naphthalene
SMILESC#CCOCc1ccc2cccc(C)c2c1
InChIInChI=1S/C15H14O/c1-3-9-16-11-13-7-8-14-6-4-5-12(2)15(14)10-13/h1,4-8,10H,9,11H2,2H3
InChIKeySUVYEFZKPFEHGN-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.30
Rot. Bonds3

About 1-methyl-7-(prop-2-ynoxymethyl)naphthalene

1-methyl-7-(prop-2-ynoxymethyl)naphthalene (PubChem CID 170199430) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methyl-7-(prop-2-ynoxymethyl)naphthalene.

Molecular Properties

Compound Name1-methyl-7-(prop-2-ynoxymethyl)naphthalene
PubChem CID170199430
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-methyl-7-(prop-2-ynoxymethyl)naphthalene
SMILESC#CCOCc1ccc2cccc(C)c2c1
InChIInChI=1S/C15H14O/c1-3-9-16-11-13-7-8-14-6-4-5-12(2)15(14)10-13/h1,4-8,10H,9,11H2,2H3
InChIKeySUVYEFZKPFEHGN-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(methoxymethyl)-1-methylnaphthalene
CID 122580391
6-methyl-1,7-bis(prop-2-ynoxy)naphthalene
CID 167077992
2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
3-methyl-2-(prop-2-ynoxymethyl)furan
CID 102454897
3-(prop-2-ynoxymethyl)perylene
CID 86224956
methyl-(8-methylnaphthalen-2-yl)diazene
CID 58667322
(8-methylnaphthalen-2-yl)oxyphosphane
CID 54177980
1-propyl-4-[4-(prop-2-ynoxymethyl)phenyl]benzene
CID 144608407
1-methyl-7-propylanthracene
CID 174764021
(8-methylnaphthalen-2-yl)boronic acid
CID 118802367
N,N,8-trimethylnaphthalen-2-amine
CID 118617152
2-(ethoxymethyl)naphthalene
CID 11063138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(prop-2-ynoxymethyl)naphthalene?
The IUPAC name of 1-methyl-7-(prop-2-ynoxymethyl)naphthalene (CID 170199430) is 1-methyl-7-(prop-2-ynoxymethyl)naphthalene.
What is the SMILES notation for 1-methyl-7-(prop-2-ynoxymethyl)naphthalene?
The canonical SMILES for 1-methyl-7-(prop-2-ynoxymethyl)naphthalene is C#CCOCc1ccc2cccc(C)c2c1.
What is the InChIKey of 1-methyl-7-(prop-2-ynoxymethyl)naphthalene?
The InChIKey is SUVYEFZKPFEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-3-9-16-11-13-7-8-14-6-4-5-12(2)15(14)10-13/h1,4-8,10H,9,11H2,2H3.
What are the key properties of 1-methyl-7-(prop-2-ynoxymethyl)naphthalene?
1-methyl-7-(prop-2-ynoxymethyl)naphthalene has a molecular weight of 210.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(prop-2-ynoxymethyl)naphthalene is sourced from PubChem (CID 170199430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).