3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol

C21H20O6 — CID 174620006

IUPAC3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.Oc1ccccc1
InChIInChI=1S/C15H14O5.C6H6O/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20;7-6-4-2-1-3-5-6/h1-2,4-5,7-8,16-17,19-20H,3,6H2;1-5,7H
InChIKeyQVYWDZFNDPGNKV-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.72
Rot. Bonds4

About 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol

3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol (PubChem CID 174620006) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
PubChem CID174620006
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
SMILESO=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.Oc1ccccc1
InChIInChI=1S/C15H14O5.C6H6O/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20;7-6-4-2-1-3-5-6/h1-2,4-5,7-8,16-17,19-20H,3,6H2;1-5,7H
InChIKeyQVYWDZFNDPGNKV-UHFFFAOYSA-N
XLogP3.72
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

trisodium;bis(3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one);phosphate
CID 70567551
3-(4-hydroxy-3-methylphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 140751635
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
CID 14826836
3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 129220969
2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
CID 131972187
11-(2-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)undecan-1-one
CID 11234557
1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one
CID 140936056
3-(4-hydroxyphenyl)propanoic acid;methane
CID 70425679
phenol;4-phenylbutan-2-one
CID 160537429
1-[2,6-dihydroxy-4-(hydroxymethyl)-3-methylphenyl]-3-phenylpropan-1-one
CID 58663400
1-[2,4-dihydroxy-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 7059602
3-(2-methyl-4-phenoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 129220866

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol?
The IUPAC name of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol (CID 174620006) is 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol is O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.Oc1ccccc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol?
The InChIKey is QVYWDZFNDPGNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5.C6H6O/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20;7-6-4-2-1-3-5-6/h1-2,4-5,7-8,16-17,19-20H,3,6H2;1-5,7H.
What are the key properties of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol?
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol has a molecular weight of 368.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol is sourced from PubChem (CID 174620006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).