7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene

C23H27F3O4 — CID 142158583

IUPAC7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene
SMILESCCCc1cc(OCC(F)(F)F)ccc1OCCCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C23H27F3O4/c1-2-5-18-14-19(30-16-23(24,25)26)9-10-21(18)28-13-4-12-27-20-8-7-17-6-3-11-29-22(17)15-20/h7-10,14-15H,2-6,11-13,16H2,1H3
InChIKeyVNLRGFHFSQPWMM-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.75
Rot. Bonds10

About 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene

7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene (PubChem CID 142158583) has the molecular formula C23H27F3O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene
PubChem CID142158583
Molecular FormulaC23H27F3O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene
SMILESCCCc1cc(OCC(F)(F)F)ccc1OCCCOc1ccc2c(c1)OCCC2
InChIInChI=1S/C23H27F3O4/c1-2-5-18-14-19(30-16-23(24,25)26)9-10-21(18)28-13-4-12-27-20-8-7-17-6-3-11-29-22(17)15-20/h7-10,14-15H,2-6,11-13,16H2,1H3
InChIKeyVNLRGFHFSQPWMM-UHFFFAOYSA-N
XLogP5.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene?
The IUPAC name of 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene (CID 142158583) is 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene is CCCc1cc(OCC(F)(F)F)ccc1OCCCOc1ccc2c(c1)OCCC2.
What is the InChIKey of 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene?
The InChIKey is VNLRGFHFSQPWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3O4/c1-2-5-18-14-19(30-16-23(24,25)26)9-10-21(18)28-13-4-12-27-20-8-7-17-6-3-11-29-22(17)15-20/h7-10,14-15H,2-6,11-13,16H2,1H3.
What are the key properties of 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene?
7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene has a molecular weight of 424.46 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-propyl-4-(2,2,2-trifluoroethoxy)phenoxy]propoxy]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 142158583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).