1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone

C18H13FO2 — CID 167612699

IUPAC1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone
SMILESO=C(CO)c1c(F)cccc1-c1cccc2ccccc12
InChIInChI=1S/C18H13FO2/c19-16-10-4-9-15(18(16)17(21)11-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,20H,11H2
InChIKeyWDBCDMFAKVNEMH-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone

1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone (PubChem CID 167612699) has the molecular formula C18H13FO2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone
PubChem CID167612699
Molecular FormulaC18H13FO2
Molecular Weight280.30 g/mol
Exact Mass280.09
IUPAC Name1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone
SMILESO=C(CO)c1c(F)cccc1-c1cccc2ccccc12
InChIInChI=1S/C18H13FO2/c19-16-10-4-9-15(18(16)17(21)11-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,20H,11H2
InChIKeyWDBCDMFAKVNEMH-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
CID 175309545
CID 175309545

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone?
The IUPAC name of 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone (CID 167612699) is 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone is O=C(CO)c1c(F)cccc1-c1cccc2ccccc12.
What is the InChIKey of 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone?
The InChIKey is WDBCDMFAKVNEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2/c19-16-10-4-9-15(18(16)17(21)11-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-10,20H,11H2.
What are the key properties of 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone?
1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone has a molecular weight of 280.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-naphthalen-1-ylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 167612699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).