1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone

C20H16O4 — CID 166874046

IUPAC1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1O
InChIInChI=1S/C20H16O4/c1-14(21)19-12-11-18(13-20(19)22)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13,22H,1H3
InChIKeyLEZDZRACLWSTDM-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.18
Rot. Bonds5

About 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone

1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone (PubChem CID 166874046) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
PubChem CID166874046
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1O
InChIInChI=1S/C20H16O4/c1-14(21)19-12-11-18(13-20(19)22)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13,22H,1H3
InChIKeyLEZDZRACLWSTDM-UHFFFAOYSA-N
XLogP5.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-4-phenoxyphenyl)butane-1,3-dione
CID 139885763
ethane;1-[4-phenoxy-2-(trifluoromethyl)phenyl]ethanone
CID 144993710
1-[2-acetyl-4-(3,4-diacetylphenoxy)phenyl]ethanone
CID 142513728
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
1-[2-(2-methylbutyl)-4-phenoxyphenyl]ethanone
CID 155782277
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
2-methyl-4-phenoxyphenol
CID 23089676
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
2-methoxycarbonyl-4-phenoxybenzoic acid
CID 142601044

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone (CID 166874046) is 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone?
The InChIKey is LEZDZRACLWSTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-14(21)19-12-11-18(13-20(19)22)24-17-9-7-16(8-10-17)23-15-5-3-2-4-6-15/h2-13,22H,1H3.
What are the key properties of 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone?
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone has a molecular weight of 320.34 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 166874046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).