1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one

C21H24O4 — CID 134105467

IUPAC1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(C(C)(C)c2ccc(O)c(C(=O)CC)c2)ccc1O
InChIInChI=1S/C21H24O4/c1-5-17(22)15-11-13(7-9-19(15)24)21(3,4)14-8-10-20(25)16(12-14)18(23)6-2/h7-12,24-25H,5-6H2,1-4H3
InChIKeyUJHHSGIEAONMQN-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.61
Rot. Bonds6

About 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one

1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one (PubChem CID 134105467) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
PubChem CID134105467
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one
SMILESCCC(=O)c1cc(C(C)(C)c2ccc(O)c(C(=O)CC)c2)ccc1O
InChIInChI=1S/C21H24O4/c1-5-17(22)15-11-13(7-9-19(15)24)21(3,4)14-8-10-20(25)16(12-14)18(23)6-2/h7-12,24-25H,5-6H2,1-4H3
InChIKeyUJHHSGIEAONMQN-UHFFFAOYSA-N
XLogP4.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-5-[2-(4-hydroxyphenyl)propan-2-yl]benzoate
CID 21184995
1-(5-tert-butyl-2-hydroxyphenyl)dodecan-1-one
CID 5212255
[4-(2-phenylpropan-2-yl)phenyl] 2-hydroxy-5-(2-phenylpropan-2-yl)benzoate
CID 23468248
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
1-(2-amino-4-tert-butylphenyl)propan-1-one
CID 23265761
5-tert-butyl-2-hydroxybenzohydrazide
CID 21447983
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
CID 21184977
2-(5-tert-butyl-2-hydroxyphenyl)-2-oxoacetic acid
CID 117317802
cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
CID 143878278
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
3-(4-hydroxy-3-propanoylphenyl)prop-2-enamide
CID 169482230
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one?
The IUPAC name of 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one (CID 134105467) is 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one is CCC(=O)c1cc(C(C)(C)c2ccc(O)c(C(=O)CC)c2)ccc1O.
What is the InChIKey of 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one?
The InChIKey is UJHHSGIEAONMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-5-17(22)15-11-13(7-9-19(15)24)21(3,4)14-8-10-20(25)16(12-14)18(23)6-2/h7-12,24-25H,5-6H2,1-4H3.
What are the key properties of 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one?
1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one has a molecular weight of 340.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[2-(4-hydroxy-3-propanoylphenyl)propan-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 134105467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).