1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone

C17H18O5 — CID 102233436

IUPAC1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
SMILESCOc1cc(O)c(C(=O)COCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O5/c1-20-13-8-14(18)17(16(9-13)21-2)15(19)11-22-10-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3
InChIKeyQPDBTWAICZRORL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.81
Rot. Bonds7

About 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone

1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone (PubChem CID 102233436) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
PubChem CID102233436
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
SMILESCOc1cc(O)c(C(=O)COCc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O5/c1-20-13-8-14(18)17(16(9-13)21-2)15(19)11-22-10-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3
InChIKeyQPDBTWAICZRORL-UHFFFAOYSA-N
XLogP2.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
CID 101440940
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-(4,5-difluoro-2-methoxyphenyl)-2-phenylmethoxyethanone
CID 146006170
1-(3-fluoro-4-methoxyphenyl)-2-phenylmethoxyethanone
CID 62030398
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylpropan-1-one
CID 13359570
1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
CID 146011151
1-(4-bromo-2,6-difluorophenyl)-2-phenylmethoxyethanone
CID 146011181
4-(2-hydroxy-4,6-dimethoxyphenyl)-1-naphthalen-2-ylbutane-1,2,4-trione
CID 101020851
2-(2-ethoxyphenoxy)-1-(2,4,6-trimethoxyphenyl)ethanone
CID 2105953

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone (CID 102233436) is 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone is COc1cc(O)c(C(=O)COCc2ccccc2)c(OC)c1.
What is the InChIKey of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone?
The InChIKey is QPDBTWAICZRORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-20-13-8-14(18)17(16(9-13)21-2)15(19)11-22-10-12-6-4-3-5-7-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone?
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone has a molecular weight of 302.33 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone is sourced from PubChem (CID 102233436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).