4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione

C22H26O5 — CID 91392641

IUPAC4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione
SMILESCCOc1ccccc1C(=O)C(CC(C)(O)C(=O)c1ccccc1)OCC
InChIInChI=1S/C22H26O5/c1-4-26-18-14-10-9-13-17(18)20(23)19(27-5-2)15-22(3,25)21(24)16-11-7-6-8-12-16/h6-14,19,25H,4-5,15H2,1-3H3
InChIKeyOCBGRPCOZANUBB-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.70
Rot. Bonds10

About 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione

4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione (PubChem CID 91392641) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione.

Molecular Properties

Compound Name4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione
PubChem CID91392641
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione
SMILESCCOc1ccccc1C(=O)C(CC(C)(O)C(=O)c1ccccc1)OCC
InChIInChI=1S/C22H26O5/c1-4-26-18-14-10-9-13-17(18)20(23)19(27-5-2)15-22(3,25)21(24)16-11-7-6-8-12-16/h6-14,19,25H,4-5,15H2,1-3H3
InChIKeyOCBGRPCOZANUBB-UHFFFAOYSA-N
XLogP3.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(2-ethoxyphenyl)-1-phenylbutane-1,2,4-trione
CID 66973864
2-amino-1-(2-ethoxyphenyl)butan-1-one
CID 116583912
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
1-(2-ethoxyphenyl)-2-methoxypentan-1-one
CID 116708029
2-ethoxybenzoic acid;zinc
CID 172723273
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
1-(2-ethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566286
1-(2-ethoxyphenyl)-2-methoxy-3-methylbutan-1-one
CID 116708332
1-(2-ethoxyphenyl)-2-phenylbutan-1-one
CID 114971123
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
benzene;2,2-diethoxy-1-phenylethanone;hydrate
CID 174859350
2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
CID 19878495

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione?
The IUPAC name of 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione (CID 91392641) is 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione.
What is the SMILES notation for 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione?
The canonical SMILES for 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione is CCOc1ccccc1C(=O)C(CC(C)(O)C(=O)c1ccccc1)OCC.
What is the InChIKey of 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione?
The InChIKey is OCBGRPCOZANUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O5/c1-4-26-18-14-10-9-13-17(18)20(23)19(27-5-2)15-22(3,25)21(24)16-11-7-6-8-12-16/h6-14,19,25H,4-5,15H2,1-3H3.
What are the key properties of 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione?
4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione has a molecular weight of 370.45 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-(2-ethoxyphenyl)-2-hydroxy-2-methyl-1-phenylpentane-1,5-dione is sourced from PubChem (CID 91392641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).