1-ethoxy-3,4-dihydro-1H-isochromene

C11H14O2 — CID 10976056

IUPAC1-ethoxy-3,4-dihydro-1H-isochromene
SMILESCCOC1OCCc2ccccc21
InChIInChI=1S/C11H14O2/c1-2-12-11-10-6-4-3-5-9(10)7-8-13-11/h3-6,11H,2,7-8H2,1H3
InChIKeyFBPNQPMYGLMRDR-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.29
Rot. Bonds2

About 1-ethoxy-3,4-dihydro-1H-isochromene

1-ethoxy-3,4-dihydro-1H-isochromene (PubChem CID 10976056) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-ethoxy-3,4-dihydro-1H-isochromene.

Molecular Properties

Compound Name1-ethoxy-3,4-dihydro-1H-isochromene
PubChem CID10976056
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-ethoxy-3,4-dihydro-1H-isochromene
SMILESCCOC1OCCc2ccccc21
InChIInChI=1S/C11H14O2/c1-2-12-11-10-6-4-3-5-9(10)7-8-13-11/h3-6,11H,2,7-8H2,1H3
InChIKeyFBPNQPMYGLMRDR-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Phenyl-1,3-dioxane
CID 92840
4-Methyl-4-phenyl-1,3-dioxane
CID 92875
1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-
CID 107381
Isochromane
CID 96266
2-Phenyl-1,3-dioxane
CID 69874
1,3-Dimethoxyphthalan
CID 11629690
4,4,6-Trimethyl-2-phenyl-1,3-dioxane
CID 95632
Benzene, (triethoxymethyl)-
CID 74268

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,4-dihydro-1H-isochromene?
The IUPAC name of 1-ethoxy-3,4-dihydro-1H-isochromene (CID 10976056) is 1-ethoxy-3,4-dihydro-1H-isochromene.
What is the SMILES notation for 1-ethoxy-3,4-dihydro-1H-isochromene?
The canonical SMILES for 1-ethoxy-3,4-dihydro-1H-isochromene is CCOC1OCCc2ccccc21.
What is the InChIKey of 1-ethoxy-3,4-dihydro-1H-isochromene?
The InChIKey is FBPNQPMYGLMRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-12-11-10-6-4-3-5-9(10)7-8-13-11/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-ethoxy-3,4-dihydro-1H-isochromene?
1-ethoxy-3,4-dihydro-1H-isochromene has a molecular weight of 178.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,4-dihydro-1H-isochromene is sourced from PubChem (CID 10976056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).