3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one

C16H16O5 — CID 14826836

IUPAC3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
SMILESCc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O
InChIInChI=1S/C16H16O5/c1-9-13(19)8-14(20)15(16(9)21)12(18)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8,17,19-21H,4,7H2,1H3
InChIKeyHJBKICYXORLUJR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.63
Rot. Bonds4

About 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one

3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one (PubChem CID 14826836) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
PubChem CID14826836
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
SMILESCc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O
InChIInChI=1S/C16H16O5/c1-9-13(19)8-14(20)15(16(9)21)12(18)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8,17,19-21H,4,7H2,1H3
InChIKeyHJBKICYXORLUJR-UHFFFAOYSA-N
XLogP2.63
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
1-[2,6-dihydroxy-4-(hydroxymethyl)-3-methylphenyl]-3-phenylpropan-1-one
CID 58663400
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
3,5-dimethyl-1,7-bis(2,4,6-trihydroxy-3-methylphenyl)heptane-1,7-dione
CID 90472804
2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
CID 131972187
1-(2-hydroxy-4,6-dimethoxy-3-methylphenyl)-3-phenylpropan-1-one
CID 15747330
1-(2,6-dihydroxy-4-methylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 22016689
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
CID 24795402
1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 170221756
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one (CID 14826836) is 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one is Cc1c(O)cc(O)c(C(=O)CCc2ccc(O)cc2)c1O.
What is the InChIKey of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one?
The InChIKey is HJBKICYXORLUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-9-13(19)8-14(20)15(16(9)21)12(18)7-4-10-2-5-11(17)6-3-10/h2-3,5-6,8,17,19-21H,4,7H2,1H3.
What are the key properties of 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one?
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one has a molecular weight of 288.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one is sourced from PubChem (CID 14826836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).