(2-ethoxy-2-phenoxyethyl)benzene

C16H18O2 — CID 54511534

IUPAC(2-ethoxy-2-phenoxyethyl)benzene
SMILESCCOC(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18O2/c1-2-17-16(13-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyYJLZVAFVYAUCLC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.67
Rot. Bonds6

About (2-ethoxy-2-phenoxyethyl)benzene

(2-ethoxy-2-phenoxyethyl)benzene (PubChem CID 54511534) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2-ethoxy-2-phenoxyethyl)benzene.

Molecular Properties

Compound Name(2-ethoxy-2-phenoxyethyl)benzene
PubChem CID54511534
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(2-ethoxy-2-phenoxyethyl)benzene
SMILESCCOC(Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18O2/c1-2-17-16(13-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyYJLZVAFVYAUCLC-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylpropan-2-yloxybenzene
CID 54221058
(2-bromo-2-ethoxyethyl)benzene
CID 18694508
4-ethoxy-2-methylidene-4-phenoxybutanoic acid
CID 66769514
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
1-phenoxy-2-phenylethanol
CID 54118978
[2-[2,3-di(propan-2-yloxy)propoxy]-2-ethoxyethyl]benzene
CID 145053413
2-ethoxy-3-phenylpropanoic acid
CID 54403311
2-ethoxy-2-phenoxyacetaldehyde
CID 173336659
2-ethoxy-2-phenylmethoxyethanol
CID 57263714
2-(2,2-diethoxyethylsulfanyl)-3-phenylpropanoic acid
CID 81093047
2-(2-ethoxy-2-phenoxyethyl)piperazine
CID 174650767
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-phenoxyethyl)benzene?
The IUPAC name of (2-ethoxy-2-phenoxyethyl)benzene (CID 54511534) is (2-ethoxy-2-phenoxyethyl)benzene.
What is the SMILES notation for (2-ethoxy-2-phenoxyethyl)benzene?
The canonical SMILES for (2-ethoxy-2-phenoxyethyl)benzene is CCOC(Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of (2-ethoxy-2-phenoxyethyl)benzene?
The InChIKey is YJLZVAFVYAUCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-17-16(13-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of (2-ethoxy-2-phenoxyethyl)benzene?
(2-ethoxy-2-phenoxyethyl)benzene has a molecular weight of 242.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-phenoxyethyl)benzene is sourced from PubChem (CID 54511534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).