ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate

C16H16O4 — CID 18943265

IUPACethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate
SMILESCC(=O)Oc1cc2ccc1o2.CCOc1ccccc1
InChIInChI=1S/C8H6O3.C8H10O/c1-5(9)10-8-4-6-2-3-7(8)11-6;1-2-9-8-6-4-3-5-7-8/h2-4H,1H3;3-7H,2H2,1H3
InChIKeyFERKNKNYPRMKMO-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.88
Rot. Bonds3

About ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate

ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate (PubChem CID 18943265) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate.

Molecular Properties

Compound Nameethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate
PubChem CID18943265
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Nameethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate
SMILESCC(=O)Oc1cc2ccc1o2.CCOc1ccccc1
InChIInChI=1S/C8H6O3.C8H10O/c1-5(9)10-8-4-6-2-3-7(8)11-6;1-2-9-8-6-4-3-5-7-8/h2-4H,1H3;3-7H,2H2,1H3
InChIKeyFERKNKNYPRMKMO-UHFFFAOYSA-N
XLogP3.88
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxybenzene;2-phenoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943279
5-[2-(4-ethoxyphenyl)ethyl]-2-hydroxybenzoic acid;2-methoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 19106201
ethoxymethoxyethane;2-ethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 18943224
ethoxybenzene chloride
CID 21193593
2-chloroacetic acid;ethoxybenzene
CID 174963019
ethoxybenzene;molecular iodine
CID 67763605
4-ethoxy-2-hydroxybenzoic acid;2-(2-phenylethyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 19106290
2-phenoxyacetic acid;phenyl acetate
CID 160680696
ethoxybenzene;ethyl 2-methylprop-2-enoate
CID 175299667
2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yloxy)-4-oxobutanoic acid
CID 167031762
phenyl acetate;hydroiodide
CID 172788123
ethoxybenzene;ethoxyethane
CID 67764259

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate?
The IUPAC name of ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate (CID 18943265) is ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate.
What is the SMILES notation for ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate?
The canonical SMILES for ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate is CC(=O)Oc1cc2ccc1o2.CCOc1ccccc1.
What is the InChIKey of ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate?
The InChIKey is FERKNKNYPRMKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3.C8H10O/c1-5(9)10-8-4-6-2-3-7(8)11-6;1-2-9-8-6-4-3-5-7-8/h2-4H,1H3;3-7H,2H2,1H3.
What are the key properties of ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate?
ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate has a molecular weight of 272.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yl acetate is sourced from PubChem (CID 18943265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).