2-phenoxyethoxybenzene

C14H14O2 — CID 7713

IUPAC2-phenoxyethoxybenzene
SMILESc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXCSGHNKDXGYELG-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.14
Rot. Bonds5

About 2-phenoxyethoxybenzene

2-phenoxyethoxybenzene (PubChem CID 7713) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-phenoxyethoxybenzene.

Molecular Properties

Compound Name2-phenoxyethoxybenzene
PubChem CID7713
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-phenoxyethoxybenzene
SMILESc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXCSGHNKDXGYELG-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethoxybenzene?
The IUPAC name of 2-phenoxyethoxybenzene (CID 7713) is 2-phenoxyethoxybenzene.
What is the SMILES notation for 2-phenoxyethoxybenzene?
The canonical SMILES for 2-phenoxyethoxybenzene is c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-phenoxyethoxybenzene?
The InChIKey is XCSGHNKDXGYELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2-phenoxyethoxybenzene?
2-phenoxyethoxybenzene has a molecular weight of 214.26 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethoxybenzene is sourced from PubChem (CID 7713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).