1-ethenyl-4-(phenoxymethyl)naphthalene

C19H16O — CID 22172419

IUPAC1-ethenyl-4-(phenoxymethyl)naphthalene
SMILESC=Cc1ccc(COc2ccccc2)c2ccccc12
InChIInChI=1S/C19H16O/c1-2-15-12-13-16(19-11-7-6-10-18(15)19)14-20-17-8-4-3-5-9-17/h2-13H,1,14H2
InChIKeyPZHOKPCBVGVKKU-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.06
Rot. Bonds4

About 1-ethenyl-4-(phenoxymethyl)naphthalene

1-ethenyl-4-(phenoxymethyl)naphthalene (PubChem CID 22172419) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethenyl-4-(phenoxymethyl)naphthalene.

Molecular Properties

Compound Name1-ethenyl-4-(phenoxymethyl)naphthalene
PubChem CID22172419
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name1-ethenyl-4-(phenoxymethyl)naphthalene
SMILESC=Cc1ccc(COc2ccccc2)c2ccccc12
InChIInChI=1S/C19H16O/c1-2-15-12-13-16(19-11-7-6-10-18(15)19)14-20-17-8-4-3-5-9-17/h2-13H,1,14H2
InChIKeyPZHOKPCBVGVKKU-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(phenoxymethyl)naphthalene?
The IUPAC name of 1-ethenyl-4-(phenoxymethyl)naphthalene (CID 22172419) is 1-ethenyl-4-(phenoxymethyl)naphthalene.
What is the SMILES notation for 1-ethenyl-4-(phenoxymethyl)naphthalene?
The canonical SMILES for 1-ethenyl-4-(phenoxymethyl)naphthalene is C=Cc1ccc(COc2ccccc2)c2ccccc12.
What is the InChIKey of 1-ethenyl-4-(phenoxymethyl)naphthalene?
The InChIKey is PZHOKPCBVGVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-2-15-12-13-16(19-11-7-6-10-18(15)19)14-20-17-8-4-3-5-9-17/h2-13H,1,14H2.
What are the key properties of 1-ethenyl-4-(phenoxymethyl)naphthalene?
1-ethenyl-4-(phenoxymethyl)naphthalene has a molecular weight of 260.34 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(phenoxymethyl)naphthalene is sourced from PubChem (CID 22172419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).