1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone

C16H16O5 — CID 91509834

IUPAC1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C(O)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C16H16O5/c1-20-12-7-8-13(14(9-12)21-2)16(19)15(18)10-3-5-11(17)6-4-10/h3-9,15,17-18H,1-2H3
InChIKeySUZBLGZJXSZSQL-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.33
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone

1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone (PubChem CID 91509834) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
PubChem CID91509834
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C(O)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C16H16O5/c1-20-12-7-8-13(14(9-12)21-2)16(19)15(18)10-3-5-11(17)6-4-10/h3-9,15,17-18H,1-2H3
InChIKeySUZBLGZJXSZSQL-UHFFFAOYSA-N
XLogP2.33
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-ethylbutan-1-one
CID 114971207
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
CID 104890975
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoate
CID 6947027
1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
CID 54483282
N-[4-[(1R)-1-hydroxyethyl]phenyl]-2,4-dimethoxybenzamide
CID 100803459
(3R)-3-azaniumyl-4-(2,4-dimethoxyphenyl)-4-oxobutanoate
CID 27282127
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
3-(2,4-dimethoxyphenyl)-3-oxo-2-pyridin-4-ylpropanenitrile
CID 80523894

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone (CID 91509834) is 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone is COc1ccc(C(=O)C(O)c2ccc(O)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone?
The InChIKey is SUZBLGZJXSZSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-20-12-7-8-13(14(9-12)21-2)16(19)15(18)10-3-5-11(17)6-4-10/h3-9,15,17-18H,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone?
1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone has a molecular weight of 288.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 91509834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).