6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one

C17H15FO2 — CID 118598160

IUPAC6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(F)ccc1Oc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C17H15FO2/c1-11-9-13(18)5-8-17(11)20-14-6-7-15-12(10-14)3-2-4-16(15)19/h5-10H,2-4H2,1H3
InChIKeyDTAXVWSWGDMKCD-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.45
Rot. Bonds2

About 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one

6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 118598160) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID118598160
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(F)ccc1Oc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C17H15FO2/c1-11-9-13(18)5-8-17(11)20-14-6-7-15-12(10-14)3-2-4-16(15)19/h5-10H,2-4H2,1H3
InChIKeyDTAXVWSWGDMKCD-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one (CID 118598160) is 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one is Cc1cc(F)ccc1Oc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DTAXVWSWGDMKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2/c1-11-9-13(18)5-8-17(11)20-14-6-7-15-12(10-14)3-2-4-16(15)19/h5-10H,2-4H2,1H3.
What are the key properties of 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one?
6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 270.30 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 118598160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).