3-ethoxy-3,4,7,8-tetrahydro-2H-chromene

C11H16O2 — CID 167482885

IUPAC3-ethoxy-3,4,7,8-tetrahydro-2H-chromene
SMILESCCOC1COC2=C(C=CCC2)C1
InChIInChI=1S/C11H16O2/c1-2-12-10-7-9-5-3-4-6-11(9)13-8-10/h3,5,10H,2,4,6-8H2,1H3
InChIKeyKUCDOVRJLJVONR-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.42
Rot. Bonds2

About 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene

3-ethoxy-3,4,7,8-tetrahydro-2H-chromene (PubChem CID 167482885) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene.

Molecular Properties

Compound Name3-ethoxy-3,4,7,8-tetrahydro-2H-chromene
PubChem CID167482885
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-ethoxy-3,4,7,8-tetrahydro-2H-chromene
SMILESCCOC1COC2=C(C=CCC2)C1
InChIInChI=1S/C11H16O2/c1-2-12-10-7-9-5-3-4-6-11(9)13-8-10/h3,5,10H,2,4,6-8H2,1H3
InChIKeyKUCDOVRJLJVONR-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene?
The IUPAC name of 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene (CID 167482885) is 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene.
What is the SMILES notation for 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene?
The canonical SMILES for 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene is CCOC1COC2=C(C=CCC2)C1.
What is the InChIKey of 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene?
The InChIKey is KUCDOVRJLJVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-2-12-10-7-9-5-3-4-6-11(9)13-8-10/h3,5,10H,2,4,6-8H2,1H3.
What are the key properties of 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene?
3-ethoxy-3,4,7,8-tetrahydro-2H-chromene has a molecular weight of 180.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3,4,7,8-tetrahydro-2H-chromene is sourced from PubChem (CID 167482885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).