3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

C22H20O5 — CID 129220866

IUPAC3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESCc1cc(Oc2ccccc2)ccc1CCC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C22H20O5/c1-14-11-18(27-17-5-3-2-4-6-17)9-7-15(14)8-10-19(24)22-20(25)12-16(23)13-21(22)26/h2-7,9,11-13,23,25-26H,8,10H2,1H3
InChIKeyAWQWXUGLHQKHKV-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.72
Rot. Bonds6

About 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (PubChem CID 129220866) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
PubChem CID129220866
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILESCc1cc(Oc2ccccc2)ccc1CCC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C22H20O5/c1-14-11-18(27-17-5-3-2-4-6-17)9-7-15(14)8-10-19(24)22-20(25)12-16(23)13-21(22)26/h2-7,9,11-13,23,25-26H,8,10H2,1H3
InChIKeyAWQWXUGLHQKHKV-UHFFFAOYSA-N
XLogP4.72
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937321
N-[[4-(4-fluorophenoxy)-2-methylphenyl]methyl]-2,4,6-trihydroxybenzamide
CID 139467157
2-methyl-4-phenoxyphenol
CID 23089676
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 129220969
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
4-(2-methyl-4-phenoxyphenyl)-4-oxobutanoic acid
CID 82051081
sodium bis[4-[3-(2-hydroxyphenyl)-3-oxopropyl]-3-methylphenyl] phosphate
CID 157218973
3-(4-hydroxy-3-methylphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 140751635
2-[1-(2-methyl-4-phenoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83937325
1-(2-hydroxy-4-phenoxyphenyl)butane-1,3-dione
CID 139885763
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The IUPAC name of 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one (CID 129220866) is 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The canonical SMILES for 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one is Cc1cc(Oc2ccccc2)ccc1CCC(=O)c1c(O)cc(O)cc1O.
What is the InChIKey of 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
The InChIKey is AWQWXUGLHQKHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-14-11-18(27-17-5-3-2-4-6-17)9-7-15(14)8-10-19(24)22-20(25)12-16(23)13-21(22)26/h2-7,9,11-13,23,25-26H,8,10H2,1H3.
What are the key properties of 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one?
3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one has a molecular weight of 364.40 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one is sourced from PubChem (CID 129220866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).