5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene

C18H18F2O2 — CID 563928

IUPAC5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene
SMILESCC1(C)CCOc2cc(F)c(OCc3ccccc3)c(F)c21
InChIInChI=1S/C18H18F2O2/c1-18(2)8-9-21-14-10-13(19)17(16(20)15(14)18)22-11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKeyILBPRAUYVQVISK-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.60
Rot. Bonds3

About 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene

5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene (PubChem CID 563928) has the molecular formula C18H18F2O2 and a molecular weight of 304.34 g/mol. Its IUPAC name is 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene.

Molecular Properties

Compound Name5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene
PubChem CID563928
Molecular FormulaC18H18F2O2
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene
SMILESCC1(C)CCOc2cc(F)c(OCc3ccccc3)c(F)c21
InChIInChI=1S/C18H18F2O2/c1-18(2)8-9-21-14-10-13(19)17(16(20)15(14)18)22-11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChIKeyILBPRAUYVQVISK-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene?
The IUPAC name of 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene (CID 563928) is 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene.
What is the SMILES notation for 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene?
The canonical SMILES for 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene is CC1(C)CCOc2cc(F)c(OCc3ccccc3)c(F)c21.
What is the InChIKey of 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene?
The InChIKey is ILBPRAUYVQVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2O2/c1-18(2)8-9-21-14-10-13(19)17(16(20)15(14)18)22-11-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene?
5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene has a molecular weight of 304.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4,4-dimethyl-6-phenylmethoxy-2,3-dihydrochromene is sourced from PubChem (CID 563928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).