1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone

C19H22O6 — CID 141492902

IUPAC1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)c2c(O)cc(OCC)c(OC)c2O)cc1
InChIInChI=1S/C19H22O6/c1-4-24-13-8-6-12(7-9-13)10-14(20)17-15(21)11-16(25-5-2)19(23-3)18(17)22/h6-9,11,21-22H,4-5,10H2,1-3H3
InChIKeyDREUNMAGEHPXDT-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.33
Rot. Bonds8

About 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone

1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone (PubChem CID 141492902) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone
PubChem CID141492902
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone
SMILESCCOc1ccc(CC(=O)c2c(O)cc(OCC)c(OC)c2O)cc1
InChIInChI=1S/C19H22O6/c1-4-24-13-8-6-12(7-9-13)10-14(20)17-15(21)11-16(25-5-2)19(23-3)18(17)22/h6-9,11,21-22H,4-5,10H2,1-3H3
InChIKeyDREUNMAGEHPXDT-UHFFFAOYSA-N
XLogP3.33
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dihydroxy-3-methoxy-4-phenylmethoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 123553272
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
CID 24795402
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
7-ethoxy-3-(4-ethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one
CID 46840811
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethoxyphenyl)-N-ethylacetamide
CID 78808317
4-ethoxy-2-methoxyphenol
CID 54107015
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone?
The IUPAC name of 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone (CID 141492902) is 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone is CCOc1ccc(CC(=O)c2c(O)cc(OCC)c(OC)c2O)cc1.
What is the InChIKey of 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone?
The InChIKey is DREUNMAGEHPXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-4-24-13-8-6-12(7-9-13)10-14(20)17-15(21)11-16(25-5-2)19(23-3)18(17)22/h6-9,11,21-22H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone?
1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone has a molecular weight of 346.38 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,6-dihydroxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)ethanone is sourced from PubChem (CID 141492902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).