2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene

C19H20F2O3 — CID 59795028

IUPAC2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCOc1ccc(-c2cc3c(c(F)c2F)OC(OCC)CC3)cc1
InChIInChI=1S/C19H20F2O3/c1-3-22-14-8-5-12(6-9-14)15-11-13-7-10-16(23-4-2)24-19(13)18(21)17(15)20/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3
InChIKeySSYFGGRAHUARRQ-UHFFFAOYSA-N
MW334.36 g/mol
LogP4.72
Rot. Bonds5

About 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene

2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene (PubChem CID 59795028) has the molecular formula C19H20F2O3 and a molecular weight of 334.36 g/mol. Its IUPAC name is 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene
PubChem CID59795028
Molecular FormulaC19H20F2O3
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Name2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene
SMILESCCOc1ccc(-c2cc3c(c(F)c2F)OC(OCC)CC3)cc1
InChIInChI=1S/C19H20F2O3/c1-3-22-14-8-5-12(6-9-14)15-11-13-7-10-16(23-4-2)24-19(13)18(21)17(15)20/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3
InChIKeySSYFGGRAHUARRQ-UHFFFAOYSA-N
XLogP4.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene (CID 59795028) is 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene is CCOc1ccc(-c2cc3c(c(F)c2F)OC(OCC)CC3)cc1.
What is the InChIKey of 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is SSYFGGRAHUARRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O3/c1-3-22-14-8-5-12(6-9-14)15-11-13-7-10-16(23-4-2)24-19(13)18(21)17(15)20/h5-6,8-9,11,16H,3-4,7,10H2,1-2H3.
What are the key properties of 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene?
2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 334.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(4-ethoxyphenyl)-7,8-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).