1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone

C19H19FO3 — CID 75392153

IUPAC1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OC1CCCc2ccc(F)cc21
InChIInChI=1S/C19H19FO3/c1-12(21)14-7-9-18(19(10-14)22-2)23-17-5-3-4-13-6-8-15(20)11-16(13)17/h6-11,17H,3-5H2,1-2H3
InChIKeyCUHBRYDBFYUEBI-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.49
Rot. Bonds4

About 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone

1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone (PubChem CID 75392153) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone
PubChem CID75392153
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OC1CCCc2ccc(F)cc21
InChIInChI=1S/C19H19FO3/c1-12(21)14-7-9-18(19(10-14)22-2)23-17-5-3-4-13-6-8-15(20)11-16(13)17/h6-11,17H,3-5H2,1-2H3
InChIKeyCUHBRYDBFYUEBI-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]benzamide
CID 97099967
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 121407776
1-(3-cyclopentyl-4-methoxyphenyl)ethanone
CID 84683848
4-(difluoromethoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybenzamide
CID 24509572
2-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylacetamide
CID 82080013
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534450
1-[3-methoxy-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]phenyl]ethanone
CID 91376507
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 63356926
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098259
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone (CID 75392153) is 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OC1CCCc2ccc(F)cc21.
What is the InChIKey of 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone?
The InChIKey is CUHBRYDBFYUEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-12(21)14-7-9-18(19(10-14)22-2)23-17-5-3-4-13-6-8-15(20)11-16(13)17/h6-11,17H,3-5H2,1-2H3.
What are the key properties of 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone?
1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone has a molecular weight of 314.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)oxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 75392153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).