2-(2,2-diethoxyethoxy)-1-phenylnaphthalene

C22H24O3 — CID 176856150

IUPAC2-(2,2-diethoxyethoxy)-1-phenylnaphthalene
SMILESCCOC(COc1ccc2ccccc2c1-c1ccccc1)OCC
InChIInChI=1S/C22H24O3/c1-3-23-21(24-4-2)16-25-20-15-14-17-10-8-9-13-19(17)22(20)18-11-6-5-7-12-18/h5-15,21H,3-4,16H2,1-2H3
InChIKeyYICCONRGIIYDGF-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.28
Rot. Bonds8

About 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene

2-(2,2-diethoxyethoxy)-1-phenylnaphthalene (PubChem CID 176856150) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene.

Molecular Properties

Compound Name2-(2,2-diethoxyethoxy)-1-phenylnaphthalene
PubChem CID176856150
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2-(2,2-diethoxyethoxy)-1-phenylnaphthalene
SMILESCCOC(COc1ccc2ccccc2c1-c1ccccc1)OCC
InChIInChI=1S/C22H24O3/c1-3-23-21(24-4-2)16-25-20-15-14-17-10-8-9-13-19(17)22(20)18-11-6-5-7-12-18/h5-15,21H,3-4,16H2,1-2H3
InChIKeyYICCONRGIIYDGF-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethoxy)-1-[4-[4-[2-(methoxymethoxy)naphthalen-1-yl]phenyl]phenyl]naphthalene
CID 139257429
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
(1S)-2-[1-[2-[(2S)-2-hydroxy-2-phenylethoxy]naphthalen-1-yl]naphthalen-2-yl]oxy-1-phenylethanol
CID 11049683
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
CID 13416777
2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
1-ethoxy-2-methoxynaphthalene
CID 45093938
1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949
1-phenyl-2-propylnaphthalene
CID 102463751
1-(2,2-diethoxyethyl)naphthalene
CID 146004800

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene?
The IUPAC name of 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene (CID 176856150) is 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene.
What is the SMILES notation for 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene?
The canonical SMILES for 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene is CCOC(COc1ccc2ccccc2c1-c1ccccc1)OCC.
What is the InChIKey of 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene?
The InChIKey is YICCONRGIIYDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-3-23-21(24-4-2)16-25-20-15-14-17-10-8-9-13-19(17)22(20)18-11-6-5-7-12-18/h5-15,21H,3-4,16H2,1-2H3.
What are the key properties of 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene?
2-(2,2-diethoxyethoxy)-1-phenylnaphthalene has a molecular weight of 336.43 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethoxy)-1-phenylnaphthalene is sourced from PubChem (CID 176856150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).