1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene

C21H28O4 — CID 132531282

IUPAC1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene
SMILESCCOC(COCCc1ccc(OCc2ccccc2)cc1)OCC
InChIInChI=1S/C21H28O4/c1-3-23-21(24-4-2)17-22-15-14-18-10-12-20(13-11-18)25-16-19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3
InChIKeyRTVDFKKVINYQBR-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.22
Rot. Bonds12

About 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene

1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene (PubChem CID 132531282) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene
PubChem CID132531282
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene
SMILESCCOC(COCCc1ccc(OCc2ccccc2)cc1)OCC
InChIInChI=1S/C21H28O4/c1-3-23-21(24-4-2)17-22-15-14-18-10-12-20(13-11-18)25-16-19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3
InChIKeyRTVDFKKVINYQBR-UHFFFAOYSA-N
XLogP4.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
CID 11514697
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene?
The IUPAC name of 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene (CID 132531282) is 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene?
The canonical SMILES for 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene is CCOC(COCCc1ccc(OCc2ccccc2)cc1)OCC.
What is the InChIKey of 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene?
The InChIKey is RTVDFKKVINYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-3-23-21(24-4-2)17-22-15-14-18-10-12-20(13-11-18)25-16-19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3.
What are the key properties of 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene?
1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene has a molecular weight of 344.45 g/mol, XLogP of 4.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-diethoxyethoxy)ethyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 132531282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).