1-(2-phenylmethoxyethyl)naphthalene

C19H18O — CID 71507589

IUPAC1-(2-phenylmethoxyethyl)naphthalene
SMILESc1ccc(COCCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18O/c1-2-7-16(8-3-1)15-20-14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,13-15H2
InChIKeyALUGXCPQXXICKF-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.60
Rot. Bonds5

About 1-(2-phenylmethoxyethyl)naphthalene

1-(2-phenylmethoxyethyl)naphthalene (PubChem CID 71507589) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethyl)naphthalene.

Molecular Properties

Compound Name1-(2-phenylmethoxyethyl)naphthalene
PubChem CID71507589
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name1-(2-phenylmethoxyethyl)naphthalene
SMILESc1ccc(COCCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18O/c1-2-7-16(8-3-1)15-20-14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,13-15H2
InChIKeyALUGXCPQXXICKF-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 100508752
1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
CID 135072991
CID 135072991
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549
3-[2-(2-naphthalen-1-ylethoxy)ethoxy]propanenitrile
CID 69073430
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094
1-benzyl-3-[3-benzyl-2-(2-phenylmethoxyethyl)phenoxy]-2-(2-phenylmethoxyethyl)benzene
CID 140993797
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395
(3R,4S)-1-naphthalen-1-yl-4-phenylmethoxypentan-3-ol
CID 57321321
CID 140892810
CID 140892810
2-methyl-6-[3-(2-phenylmethoxyethyl)-2-pyridinyl]pyridine
CID 70508215
1-[(2-methyl-4-phenylbutan-2-yl)oxymethoxymethyl]naphthalene
CID 132575857

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxyethyl)naphthalene?
The IUPAC name of 1-(2-phenylmethoxyethyl)naphthalene (CID 71507589) is 1-(2-phenylmethoxyethyl)naphthalene.
What is the SMILES notation for 1-(2-phenylmethoxyethyl)naphthalene?
The canonical SMILES for 1-(2-phenylmethoxyethyl)naphthalene is c1ccc(COCCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(2-phenylmethoxyethyl)naphthalene?
The InChIKey is ALUGXCPQXXICKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-2-7-16(8-3-1)15-20-14-13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,13-15H2.
What are the key properties of 1-(2-phenylmethoxyethyl)naphthalene?
1-(2-phenylmethoxyethyl)naphthalene has a molecular weight of 262.35 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethyl)naphthalene is sourced from PubChem (CID 71507589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).