1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone

C19H15FO3 — CID 156773535

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc3cccc(O)c23)c(F)c1
InChIInChI=1S/C19H15FO3/c1-23-14-8-9-15(16(20)11-14)18(22)10-13-6-2-4-12-5-3-7-17(21)19(12)13/h2-9,11,21H,10H2,1H3
InChIKeyRKPKGXARIIKHRK-UHFFFAOYSA-N
MW310.32 g/mol
LogP4.12
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone

1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone (PubChem CID 156773535) has the molecular formula C19H15FO3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone
PubChem CID156773535
Molecular FormulaC19H15FO3
Molecular Weight310.32 g/mol
Exact Mass310.10
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone
SMILESCOc1ccc(C(=O)Cc2cccc3cccc(O)c23)c(F)c1
InChIInChI=1S/C19H15FO3/c1-23-14-8-9-15(16(20)11-14)18(22)10-13-6-2-4-12-5-3-7-17(21)19(12)13/h2-9,11,21H,10H2,1H3
InChIKeyRKPKGXARIIKHRK-UHFFFAOYSA-N
XLogP4.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 105405437
1-(2-fluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethanone
CID 169303341
2-(1-benzothiophen-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 81299144
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(4-chloro-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61077697
1-(4-bromo-2-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61079156
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
3-amino-1-(2-fluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 103397131

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone (CID 156773535) is 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone is COc1ccc(C(=O)Cc2cccc3cccc(O)c23)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone?
The InChIKey is RKPKGXARIIKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3/c1-23-14-8-9-15(16(20)11-14)18(22)10-13-6-2-4-12-5-3-7-17(21)19(12)13/h2-9,11,21H,10H2,1H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone?
1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone has a molecular weight of 310.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(8-hydroxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 156773535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).