1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone

C11H14O5 — CID 11195478

IUPAC1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(O)c(C(C)=O)c(OC)c1
InChIInChI=1S/C11H14O5/c1-7(12)11-9(13)4-8(16-6-14-2)5-10(11)15-3/h4-5,13H,6H2,1-3H3
InChIKeyUGEKNMZLYIUBFR-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone

1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone (PubChem CID 11195478) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
PubChem CID11195478
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
SMILESCOCOc1cc(O)c(C(C)=O)c(OC)c1
InChIInChI=1S/C11H14O5/c1-7(12)11-9(13)4-8(16-6-14-2)5-10(11)15-3/h4-5,13H,6H2,1-3H3
InChIKeyUGEKNMZLYIUBFR-UHFFFAOYSA-N
XLogP1.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
CID 819891
1-[4-hydroxy-2,6-bis(methoxymethoxy)phenyl]ethanone
CID 156853152
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 77443724
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-2-phenylmethoxyethanone
CID 101440940
1-[2-hydroxy-4-(hydroxymethyl)-6-methoxyphenyl]ethanone;1-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]ethanone;tribromoborane
CID 157093911
3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473
3-[2,4,6-tris(methoxymethoxy)phenyl]propanal
CID 129220874
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone (CID 11195478) is 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone is COCOc1cc(O)c(C(C)=O)c(OC)c1.
What is the InChIKey of 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone?
The InChIKey is UGEKNMZLYIUBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-7(12)11-9(13)4-8(16-6-14-2)5-10(11)15-3/h4-5,13H,6H2,1-3H3.
What are the key properties of 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone?
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone has a molecular weight of 226.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone is sourced from PubChem (CID 11195478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).