1-(phenoxymethyl)naphthalene

C17H14O — CID 588110

IUPAC1-(phenoxymethyl)naphthalene
SMILESc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14O/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2
InChIKeyKLMNNHJXPIJNGJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.42
Rot. Bonds3

About 1-(phenoxymethyl)naphthalene

1-(phenoxymethyl)naphthalene (PubChem CID 588110) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(phenoxymethyl)naphthalene.

Molecular Properties

Compound Name1-(phenoxymethyl)naphthalene
PubChem CID588110
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name1-(phenoxymethyl)naphthalene
SMILESc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14O/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2
InChIKeyKLMNNHJXPIJNGJ-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)naphthalene?
The IUPAC name of 1-(phenoxymethyl)naphthalene (CID 588110) is 1-(phenoxymethyl)naphthalene.
What is the SMILES notation for 1-(phenoxymethyl)naphthalene?
The canonical SMILES for 1-(phenoxymethyl)naphthalene is c1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(phenoxymethyl)naphthalene?
The InChIKey is KLMNNHJXPIJNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-2-10-16(11-3-1)18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2.
What are the key properties of 1-(phenoxymethyl)naphthalene?
1-(phenoxymethyl)naphthalene has a molecular weight of 234.30 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)naphthalene is sourced from PubChem (CID 588110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).