1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene

C21H22O2 — CID 71242526

IUPAC1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
SMILESCC(Cc1ccccc1)OCCOc1cccc2ccccc12
InChIInChI=1S/C21H22O2/c1-17(16-18-8-3-2-4-9-18)22-14-15-23-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17H,14-16H2,1H3
InChIKeyGENFMDDWFNXSTF-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.87
Rot. Bonds7

About 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene

1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene (PubChem CID 71242526) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene.

Molecular Properties

Compound Name1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
PubChem CID71242526
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
SMILESCC(Cc1ccccc1)OCCOc1cccc2ccccc12
InChIInChI=1S/C21H22O2/c1-17(16-18-8-3-2-4-9-18)22-14-15-23-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17H,14-16H2,1H3
InChIKeyGENFMDDWFNXSTF-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
CID 22974646
(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473
3-(2-butan-2-yloxyethoxy)perylene;methane
CID 161464662
1-(4-methylpentoxy)naphthalene
CID 83168126
N-methylmethanamine;1-(3-phenylpropoxy)naphthalene
CID 142048688
1-butoxynaphthalene
CID 13262700
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
2-naphthalen-1-yloxyethyl-[(1R)-1-phenylethyl]azanium
CID 2183530
(1S)-N-(2-naphthalen-1-yloxyethyl)-1-phenylethanamine
CID 2183529
N-naphthalen-1-yloxy-1-phenylpropan-2-amine;sulfuric acid
CID 174609080
1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)
CID 162153615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene?
The IUPAC name of 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene (CID 71242526) is 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene.
What is the SMILES notation for 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene?
The canonical SMILES for 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene is CC(Cc1ccccc1)OCCOc1cccc2ccccc12.
What is the InChIKey of 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene?
The InChIKey is GENFMDDWFNXSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-17(16-18-8-3-2-4-9-18)22-14-15-23-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17H,14-16H2,1H3.
What are the key properties of 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene?
1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene has a molecular weight of 306.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene is sourced from PubChem (CID 71242526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).