1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

C18H21NO6 — CID 12649334

IUPAC1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(O)cc(OCCN)cc2O)cc1O
InChIInChI=1S/C18H21NO6/c1-24-17-5-3-11(8-14(17)21)2-4-13(20)18-15(22)9-12(10-16(18)23)25-7-6-19/h3,5,8-10,21-23H,2,4,6-7,19H2,1H3
InChIKeyHHASKULYMSFKGG-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.97
Rot. Bonds8

About 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one (PubChem CID 12649334) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
PubChem CID12649334
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(O)cc(OCCN)cc2O)cc1O
InChIInChI=1S/C18H21NO6/c1-24-17-5-3-11(8-14(17)21)2-4-13(20)18-15(22)9-12(10-16(18)23)25-7-6-19/h3,5,8-10,21-23H,2,4,6-7,19H2,1H3
InChIKeyHHASKULYMSFKGG-UHFFFAOYSA-N
XLogP1.97
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-hydroxy-4-propoxyphenyl)propan-1-one
CID 161090757
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 118898649
1-[2,6-dihydroxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
CID 68519297
CID 158607345
CID 158607345
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
sodium 2-[3,5-dihydroxy-4-[(E)-N-hydroxy-C-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbonimidoyl]phenoxy]acetate
CID 135755531
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
potassium 5-[3-[4-(5,6-dihydroxy-3-sulfohexoxy)-2,6-dihydroxyphenyl]-3-oxopropyl]-2-methoxyphenolate
CID 138401584
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one (CID 12649334) is 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2c(O)cc(OCCN)cc2O)cc1O.
What is the InChIKey of 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
The InChIKey is HHASKULYMSFKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-24-17-5-3-11(8-14(17)21)2-4-13(20)18-15(22)9-12(10-16(18)23)25-7-6-19/h3,5,8-10,21-23H,2,4,6-7,19H2,1H3.
What are the key properties of 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one?
1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one has a molecular weight of 347.37 g/mol, XLogP of 1.97, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethoxy)-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 12649334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).