1-(1-ethoxyethoxy)-3-phenylmethoxybenzene

C17H20O3 — CID 22345861

IUPAC1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
SMILESCCOC(C)Oc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-3-18-14(2)20-17-11-7-10-16(12-17)19-13-15-8-5-4-6-9-15/h4-12,14H,3,13H2,1-2H3
InChIKeyMAAICIQYODDPEB-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.03
Rot. Bonds7

About 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene

1-(1-ethoxyethoxy)-3-phenylmethoxybenzene (PubChem CID 22345861) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
PubChem CID22345861
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
SMILESCCOC(C)Oc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H20O3/c1-3-18-14(2)20-17-11-7-10-16(12-17)19-13-15-8-5-4-6-9-15/h4-12,14H,3,13H2,1-2H3
InChIKeyMAAICIQYODDPEB-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.03
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

3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
(3-phenylmethoxyphenyl) (2S)-2-aminopropanoate
CID 67767154
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-ethyl-N-(1-phenoxyethyl)-3-phenylmethoxyaniline
CID 21407152
[3-(1-ethoxyethoxy)phenyl]boronic acid
CID 23148193
2-(diethoxymethyl)-1-methyl-4-phenylmethoxybenzene
CID 3847093
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
CID 57238609
CID 57238609
N-oxido-2-(3-phenylmethoxyphenyl)-N-(1-phenylpropan-2-yl)acetamide
CID 21281069
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene?
The IUPAC name of 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene (CID 22345861) is 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene.
What is the SMILES notation for 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene?
The canonical SMILES for 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene is CCOC(C)Oc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene?
The InChIKey is MAAICIQYODDPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-18-14(2)20-17-11-7-10-16(12-17)19-13-15-8-5-4-6-9-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene?
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene has a molecular weight of 272.34 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethoxy)-3-phenylmethoxybenzene is sourced from PubChem (CID 22345861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).