2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol

C20H24O3 — CID 70115763

IUPAC2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
SMILESCCOCCOC=Cc1ccccc1.OC=Cc1ccccc1
InChIInChI=1S/C12H16O2.C8H8O/c1-2-13-10-11-14-9-8-12-6-4-3-5-7-12;9-7-6-8-4-2-1-3-5-8/h3-9H,2,10-11H2,1H3;1-7,9H
InChIKeySHWZMRCVEMTEIV-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.93
Rot. Bonds7

About 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol

2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol (PubChem CID 70115763) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
PubChem CID70115763
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol
SMILESCCOCCOC=Cc1ccccc1.OC=Cc1ccccc1
InChIInChI=1S/C12H16O2.C8H8O/c1-2-13-10-11-14-9-8-12-6-4-3-5-7-12;9-7-6-8-4-2-1-3-5-8/h3-9H,2,10-11H2,1H3;1-7,9H
InChIKeySHWZMRCVEMTEIV-UHFFFAOYSA-N
XLogP4.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol?
The IUPAC name of 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol (CID 70115763) is 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol?
The canonical SMILES for 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol is CCOCCOC=Cc1ccccc1.OC=Cc1ccccc1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol?
The InChIKey is SHWZMRCVEMTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C8H8O/c1-2-13-10-11-14-9-8-12-6-4-3-5-7-12;9-7-6-8-4-2-1-3-5-8/h3-9H,2,10-11H2,1H3;1-7,9H.
What are the key properties of 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol?
2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol has a molecular weight of 312.41 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethenylbenzene;2-phenylethenol is sourced from PubChem (CID 70115763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).