6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H14F2O2 — CID 103981660

IUPAC6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCc3c(F)cccc3F)ccc21
InChIInChI=1S/C17H14F2O2/c18-15-4-2-5-16(19)14(15)10-21-12-7-8-13-11(9-12)3-1-6-17(13)20/h2,4-5,7-9H,1,3,6,10H2
InChIKeyPSMCJCVKOHTYLN-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.06
Rot. Bonds3

About 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 103981660) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID103981660
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCc3c(F)cccc3F)ccc21
InChIInChI=1S/C17H14F2O2/c18-15-4-2-5-16(19)14(15)10-21-12-7-8-13-11(9-12)3-1-6-17(13)20/h2,4-5,7-9H,1,3,6,10H2
InChIKeyPSMCJCVKOHTYLN-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 103981660) is 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCc3c(F)cccc3F)ccc21.
What is the InChIKey of 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is PSMCJCVKOHTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c18-15-4-2-5-16(19)14(15)10-21-12-7-8-13-11(9-12)3-1-6-17(13)20/h2,4-5,7-9H,1,3,6,10H2.
What are the key properties of 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 288.29 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 103981660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).