2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene

C21H22O2 — CID 90144659

IUPAC2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene
SMILESCC(C)c1ccc2ccc(OCCOc3ccccc3)cc2c1
InChIInChI=1S/C21H22O2/c1-16(2)18-9-8-17-10-11-21(15-19(17)14-18)23-13-12-22-20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3
InChIKeyRGBXYANTHCZTFB-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.42
Rot. Bonds6

About 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene

2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene (PubChem CID 90144659) has the molecular formula C21H22O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene
PubChem CID90144659
Molecular FormulaC21H22O2
Molecular Weight306.40 g/mol
Exact Mass306.16
IUPAC Name2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene
SMILESCC(C)c1ccc2ccc(OCCOc3ccccc3)cc2c1
InChIInChI=1S/C21H22O2/c1-16(2)18-9-8-17-10-11-21(15-19(17)14-18)23-13-12-22-20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3
InChIKeyRGBXYANTHCZTFB-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.42
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

2-(6-propan-2-ylnaphthalen-2-yl)oxyethanamine
CID 123913682
N,N-dimethyl-3-(7-propan-2-ylnaphthalen-2-yl)oxypropan-1-amine
CID 121353391
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
2-propan-2-ylpentacene
CID 153380535
1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 54794924
(1S)-1-[4-(2-phenoxyethoxy)phenyl]ethanol
CID 78930795
ethane;2-propan-2-ylnaphthalene
CID 142226111
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
2,9-di(propan-2-yl)pentacene
CID 153380534
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
N-methyl-1-[4-(2-phenoxyethoxy)phenyl]ethanamine
CID 43285217
(1R)-1-[3-(2-phenoxyethoxy)phenyl]ethanol
CID 63365536

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene?
The IUPAC name of 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene (CID 90144659) is 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene.
What is the SMILES notation for 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene?
The canonical SMILES for 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene is CC(C)c1ccc2ccc(OCCOc3ccccc3)cc2c1.
What is the InChIKey of 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene?
The InChIKey is RGBXYANTHCZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-16(2)18-9-8-17-10-11-21(15-19(17)14-18)23-13-12-22-20-6-4-3-5-7-20/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene?
2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene has a molecular weight of 306.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxy)-7-propan-2-ylnaphthalene is sourced from PubChem (CID 90144659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).