1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene

C17H20O2 — CID 142629020

IUPAC1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene
SMILESCCOCOCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-2-18-14-19-13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyUIKZGRBGBIMBAN-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.91
Rot. Bonds7

About 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene

1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene (PubChem CID 142629020) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene
PubChem CID142629020
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene
SMILESCCOCOCCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20O2/c1-2-18-14-19-13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3
InChIKeyUIKZGRBGBIMBAN-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethoxyethyl)-4-phenylbenzene
CID 70520458
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-(butoxymethoxy)ethylbenzene
CID 14640423
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132
disodium;1-dodecyl-4-phenylbenzene;ethoxyethane;hydride
CID 173234831
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
ethoxymethyl 2-phenylethyl carbonate
CID 24976123
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene?
The IUPAC name of 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene (CID 142629020) is 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene.
What is the SMILES notation for 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene?
The canonical SMILES for 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene is CCOCOCCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene?
The InChIKey is UIKZGRBGBIMBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-18-14-19-13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3.
What are the key properties of 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene?
1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene has a molecular weight of 256.34 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethoxymethoxy)ethyl]-4-phenylbenzene is sourced from PubChem (CID 142629020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).