1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one

C20H17FO2 — CID 67943342

IUPAC1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(OCc2ccc3ccc(F)cc3c2)c1
InChIInChI=1S/C20H17FO2/c1-14(22)9-15-3-2-4-20(11-15)23-13-16-5-6-17-7-8-19(21)12-18(17)10-16/h2-8,10-12H,9,13H2,1H3
InChIKeyUGBRUUFKQOKLSV-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.69
Rot. Bonds5

About 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one

1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one (PubChem CID 67943342) has the molecular formula C20H17FO2 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one
PubChem CID67943342
Molecular FormulaC20H17FO2
Molecular Weight308.35 g/mol
Exact Mass308.12
IUPAC Name1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(OCc2ccc3ccc(F)cc3c2)c1
InChIInChI=1S/C20H17FO2/c1-14(22)9-15-3-2-4-20(11-15)23-13-16-5-6-17-7-8-19(21)12-18(17)10-16/h2-8,10-12H,9,13H2,1H3
InChIKeyUGBRUUFKQOKLSV-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-one
CID 105403559
[3-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 15778115
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
2-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]pent-4-ene-1,3-diol
CID 19756611
1-(4-fluorophenyl)-3-[3-(methoxymethyl)phenoxy]propan-2-one
CID 63985981
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
ethyl 2-[3-(2-oxopropyl)phenoxy]acetate
CID 59846798
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one (CID 67943342) is 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one is CC(=O)Cc1cccc(OCc2ccc3ccc(F)cc3c2)c1.
What is the InChIKey of 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one?
The InChIKey is UGBRUUFKQOKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO2/c1-14(22)9-15-3-2-4-20(11-15)23-13-16-5-6-17-7-8-19(21)12-18(17)10-16/h2-8,10-12H,9,13H2,1H3.
What are the key properties of 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one?
1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one has a molecular weight of 308.35 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(7-fluoronaphthalen-2-yl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 67943342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).