(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone

C18H13FO2 — CID 114970401

IUPAC(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
SMILESCOc1cc(C(=O)c2ccc3ccccc3c2)ccc1F
InChIInChI=1S/C18H13FO2/c1-21-17-11-15(8-9-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKeyGGBWDBBUVBGFIZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.22
Rot. Bonds3

About (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone

(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone (PubChem CID 114970401) has the molecular formula C18H13FO2 and a molecular weight of 280.30 g/mol. Its IUPAC name is (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
PubChem CID114970401
Molecular FormulaC18H13FO2
Molecular Weight280.30 g/mol
Exact Mass280.09
IUPAC Name(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
SMILESCOc1cc(C(=O)c2ccc3ccccc3c2)ccc1F
InChIInChI=1S/C18H13FO2/c1-21-17-11-15(8-9-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3
InChIKeyGGBWDBBUVBGFIZ-UHFFFAOYSA-N
XLogP4.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
dinaphthalen-2-ylmethanone
CID 10945915
bis(4-fluoro-3-phenoxyphenyl)methanone
CID 67872405
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone (CID 114970401) is (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone is COc1cc(C(=O)c2ccc3ccccc3c2)ccc1F.
What is the InChIKey of (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone?
The InChIKey is GGBWDBBUVBGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2/c1-21-17-11-15(8-9-16(17)19)18(20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3.
What are the key properties of (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone?
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone has a molecular weight of 280.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 114970401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).