4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one

C22H15FO2 — CID 143958162

IUPAC4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one
SMILESO=C1C=C(Oc2ccc(-c3ccc(F)cc3)cc2)c2ccccc2C1
InChIInChI=1S/C22H15FO2/c23-18-9-5-15(6-10-18)16-7-11-20(12-8-16)25-22-14-19(24)13-17-3-1-2-4-21(17)22/h1-12,14H,13H2
InChIKeyMZVRUFFPPGVHCM-UHFFFAOYSA-N
MW330.36 g/mol
LogP5.04
Rot. Bonds3

About 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one

4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one (PubChem CID 143958162) has the molecular formula C22H15FO2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one
PubChem CID143958162
Molecular FormulaC22H15FO2
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one
SMILESO=C1C=C(Oc2ccc(-c3ccc(F)cc3)cc2)c2ccccc2C1
InChIInChI=1S/C22H15FO2/c23-18-9-5-15(6-10-18)16-7-11-20(12-8-16)25-22-14-19(24)13-17-3-1-2-4-21(17)22/h1-12,14H,13H2
InChIKeyMZVRUFFPPGVHCM-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(1,1-difluoroethoxy)phenoxy]-8,9-dihydrobenzo[7]annulen-7-one
CID 91010644
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CID 163618291
2-bromo-3-(4-fluorophenoxy)naphthalene-1,4-dione
CID 50939126
5-[3-(3-aminophenyl)phenoxy]-9,10-dihydro-8H-benzo[8]annulen-7-one
CID 90797617
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
7-(4-fluorophenyl)-3H-1-benzofuran-2-one
CID 159249649
3-fluoro-2-(4-methoxyphenyl)-1H-indene
CID 102296700
6-fluoro-4-hydroxy-1H-naphthalen-2-one
CID 143309984
ethane;4H-isoquinoline-1,3-dione
CID 91307302
3-(4-fluorophenyl)-1H-indene
CID 15158872
prop-2-enyl 3-oxo-4H-naphthalene-1-carboxylate
CID 67921090
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one?
The IUPAC name of 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one (CID 143958162) is 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one?
The canonical SMILES for 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one is O=C1C=C(Oc2ccc(-c3ccc(F)cc3)cc2)c2ccccc2C1.
What is the InChIKey of 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one?
The InChIKey is MZVRUFFPPGVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FO2/c23-18-9-5-15(6-10-18)16-7-11-20(12-8-16)25-22-14-19(24)13-17-3-1-2-4-21(17)22/h1-12,14H,13H2.
What are the key properties of 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one?
4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one has a molecular weight of 330.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)phenoxy]-1H-naphthalen-2-one is sourced from PubChem (CID 143958162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).