2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone

C28H30FNO4 — CID 140911685

IUPAC2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCOc1cccc(CCC2CCN(C(=O)COc3ccccc3-c3ccc(F)cc3O)CC2)c1
InChIInChI=1S/C28H30FNO4/c1-33-23-6-4-5-21(17-23)10-9-20-13-15-30(16-14-20)28(32)19-34-27-8-3-2-7-25(27)24-12-11-22(29)18-26(24)31/h2-8,11-12,17-18,20,31H,9-10,13-16,19H2,1H3
InChIKeyHZNCEBRKKMCBOF-UHFFFAOYSA-N
MW463.55 g/mol
LogP5.46
Rot. Bonds8

About 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone

2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone (PubChem CID 140911685) has the molecular formula C28H30FNO4 and a molecular weight of 463.55 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
PubChem CID140911685
Molecular FormulaC28H30FNO4
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC Name2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
SMILESCOc1cccc(CCC2CCN(C(=O)COc3ccccc3-c3ccc(F)cc3O)CC2)c1
InChIInChI=1S/C28H30FNO4/c1-33-23-6-4-5-21(17-23)10-9-20-13-15-30(16-14-20)28(32)19-34-27-8-3-2-7-25(27)24-12-11-22(29)18-26(24)31/h2-8,11-12,17-18,20,31H,9-10,13-16,19H2,1H3
InChIKeyHZNCEBRKKMCBOF-UHFFFAOYSA-N
XLogP5.46
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

(2R,3R,4S)-5-Fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-OL
CID 4369569
2-[4-[2-[4-(fluoromethyl)piperidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
CID 89619977
1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
3-[3,4-Dimethyl-1-(2-phenoxy-ethyl)-piperidin-4-yl]-phenol
CID 9840284
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-phenylphenoxy)acetamide
CID 2538771
N-methyl-N-(1-methylpiperidin-4-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 6602904
4-{8-Fluoro-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-2,3-dihydro-benzo[b]oxepin-4-yl}-phenol
CID 44590136
4-[(Z)-2-phenyl-1-[3-(2-piperidin-1-ylethoxy)phenyl]but-1-enyl]phenol
CID 166628462
Las 30538
CID 132693
1-[4-[(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-6-hydroxy-4-methyl-2H-chromen-3-yl]piperidin-1-yl]ethanone
CID 155537918
2-(2-Isopropyl-5-methyl-phenoxy)-1-morpholin-4-yl-ethanone
CID 652486
1-(4-Benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone (CID 140911685) is 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone is COc1cccc(CCC2CCN(C(=O)COc3ccccc3-c3ccc(F)cc3O)CC2)c1.
What is the InChIKey of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
The InChIKey is HZNCEBRKKMCBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FNO4/c1-33-23-6-4-5-21(17-23)10-9-20-13-15-30(16-14-20)28(32)19-34-27-8-3-2-7-25(27)24-12-11-22(29)18-26(24)31/h2-8,11-12,17-18,20,31H,9-10,13-16,19H2,1H3.
What are the key properties of 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone?
2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone has a molecular weight of 463.55 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-hydroxyphenyl)phenoxy]-1-[4-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 140911685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).