1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone

C20H23NO5 — CID 30858822

IUPAC1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(O)c(CN2CCOCC2)c1O
InChIInChI=1S/C20H23NO5/c1-25-19-5-3-2-4-14(19)12-18(23)15-6-7-17(22)16(20(15)24)13-21-8-10-26-11-9-21/h2-7,22,24H,8-13H2,1H3
InChIKeyAFHDTLYNHPFIOL-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.36
Rot. Bonds6

About 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone

1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone (PubChem CID 30858822) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone
PubChem CID30858822
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc(O)c(CN2CCOCC2)c1O
InChIInChI=1S/C20H23NO5/c1-25-19-5-3-2-4-14(19)12-18(23)15-6-7-17(22)16(20(15)24)13-21-8-10-26-11-9-21/h2-7,22,24H,8-13H2,1H3
InChIKeyAFHDTLYNHPFIOL-UHFFFAOYSA-N
XLogP2.36
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(4-ethylpiperazin-1-yl)methyl]-2,4-dihydroxyphenyl]-2-(2-methoxyphenyl)ethanone
CID 30677145
1-[2,4-dihydroxy-3-(piperidin-1-ylmethyl)phenyl]-2-phenylethanone
CID 30858765
2-hydroxy-3-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 150707382
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
(2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724219
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
4-[(2-fluorosulfonyloxyphenyl)methyl]morpholine
CID 174848163
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 110452175

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone (CID 30858822) is 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1ccc(O)c(CN2CCOCC2)c1O.
What is the InChIKey of 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is AFHDTLYNHPFIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-25-19-5-3-2-4-14(19)12-18(23)15-6-7-17(22)16(20(15)24)13-21-8-10-26-11-9-21/h2-7,22,24H,8-13H2,1H3.
What are the key properties of 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone?
1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 357.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dihydroxy-3-(morpholin-4-ylmethyl)phenyl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 30858822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).