4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one

C17H14F2O2 — CID 170705975

IUPAC4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one
SMILESO=C1CCC(F)(F)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C17H14F2O2/c18-17(19)9-8-16(20)14-7-6-13(10-15(14)17)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyIYKIJJGWUMBQCM-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.33
Rot. Bonds3

About 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one

4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one (PubChem CID 170705975) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one.

Molecular Properties

Compound Name4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one
PubChem CID170705975
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one
SMILESO=C1CCC(F)(F)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C17H14F2O2/c18-17(19)9-8-16(20)14-7-6-13(10-15(14)17)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyIYKIJJGWUMBQCM-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one?
The IUPAC name of 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one (CID 170705975) is 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one.
What is the SMILES notation for 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one?
The canonical SMILES for 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one is O=C1CCC(F)(F)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one?
The InChIKey is IYKIJJGWUMBQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-17(19)9-8-16(20)14-7-6-13(10-15(14)17)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one?
4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one has a molecular weight of 288.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one is sourced from PubChem (CID 170705975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).