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

C19H19FO3 — CID 58055361

IUPAC1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
SMILESCOc1ccc(-c2ccc3c(c2)CC(C(=O)CO)CC3)cc1F
InChIInChI=1S/C19H19FO3/c1-23-19-7-6-14(10-17(19)20)13-4-2-12-3-5-15(18(22)11-21)9-16(12)8-13/h2,4,6-8,10,15,21H,3,5,9,11H2,1H3
InChIKeyZIKLWWUBPDRISK-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.17
Rot. Bonds4

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

1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone (PubChem CID 58055361) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
PubChem CID58055361
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone
SMILESCOc1ccc(-c2ccc3c(c2)CC(C(=O)CO)CC3)cc1F
InChIInChI=1S/C19H19FO3/c1-23-19-7-6-14(10-17(19)20)13-4-2-12-3-5-15(18(22)11-21)9-16(12)8-13/h2,4,6-8,10,15,21H,3,5,9,11H2,1H3
InChIKeyZIKLWWUBPDRISK-UHFFFAOYSA-N
XLogP3.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[7-(2-hydroxyacetyl)-5,6,7,8-tetrahydronaphthalen-2-yl]-N,N-dimethylbenzamide
CID 58055166
2-hydroxy-1-[7-(2-propan-2-yloxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]ethanone
CID 58055308
7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 175973526
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 66660910
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
2-fluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144809449
[2-fluoro-4-(3-fluoro-4-methoxyphenyl)phenyl] 2-methylprop-2-enoate
CID 129142995
2-(3-fluoro-4-methoxyphenyl)-1-(8-thiabicyclo[3.2.1]octan-3-yl)ethanone
CID 171940849
2-fluoro-1-methoxy-4-[4-(4-methoxycyclohexyl)phenyl]benzene
CID 144809360
2,2-diethyl-3-(3-fluoro-4-methoxyphenyl)cyclobutan-1-one
CID 81415947

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
The IUPAC name of 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone (CID 58055361) is 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone is COc1ccc(-c2ccc3c(c2)CC(C(=O)CO)CC3)cc1F.
What is the InChIKey of 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
The InChIKey is ZIKLWWUBPDRISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-23-19-7-6-14(10-17(19)20)13-4-2-12-3-5-15(18(22)11-21)9-16(12)8-13/h2,4,6-8,10,15,21H,3,5,9,11H2,1H3.
What are the key properties of 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone?
1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone has a molecular weight of 314.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-hydroxyethanone is sourced from PubChem (CID 58055361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).