1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol

C12H18O5 — CID 150637393

IUPAC1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol
SMILESCOCOc1cc(OC)cc(OC)c1C(C)O
InChIInChI=1S/C12H18O5/c1-8(13)12-10(16-4)5-9(15-3)6-11(12)17-7-14-2/h5-6,8,13H,7H2,1-4H3
InChIKeyIZEFUNYYTNOPHZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.74
Rot. Bonds6

About 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol

1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol (PubChem CID 150637393) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol
PubChem CID150637393
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol
SMILESCOCOc1cc(OC)cc(OC)c1C(C)O
InChIInChI=1S/C12H18O5/c1-8(13)12-10(16-4)5-9(15-3)6-11(12)17-7-14-2/h5-6,8,13H,7H2,1-4H3
InChIKeyIZEFUNYYTNOPHZ-UHFFFAOYSA-N
XLogP1.74
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.74
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-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
1-(2-hydroxy-4,6-dimethoxyphenyl)propane-1,2,3-triol
CID 170819085
CID 88968963
CID 88968963
(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol
CID 10714660
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-sulfanylpropane-1,2-diol
CID 170821135
(1S,2R)-1-amino-5-methyl-1-(2,4,6-trimethoxyphenyl)hexan-2-ol
CID 171267047
2-(1-hydroxyethyl)-5-methoxy-3-methylphenol
CID 178064841
3-methyl-1-(2,4,6-trimethoxyphenyl)but-2-en-1-ol
CID 79189463
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol?
The IUPAC name of 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol (CID 150637393) is 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol?
The canonical SMILES for 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol is COCOc1cc(OC)cc(OC)c1C(C)O.
What is the InChIKey of 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol?
The InChIKey is IZEFUNYYTNOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-8(13)12-10(16-4)5-9(15-3)6-11(12)17-7-14-2/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol?
1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol has a molecular weight of 242.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol is sourced from PubChem (CID 150637393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).