2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol

C12H18O5 — CID 79566976

IUPAC2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOCC(O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H18O5/c1-14-7-9(13)8-5-10(15-2)12(17-4)11(6-8)16-3/h5-6,9,13H,7H2,1-4H3
InChIKeyOQWHEUVMVJQYDS-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.39
Rot. Bonds6

About 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol

2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol (PubChem CID 79566976) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
PubChem CID79566976
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOCC(O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H18O5/c1-14-7-9(13)8-5-10(15-2)12(17-4)11(6-8)16-3/h5-6,9,13H,7H2,1-4H3
InChIKeyOQWHEUVMVJQYDS-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
3-methyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-ol
CID 115816807
2-methoxy-1-(3-methoxy-4-methylphenyl)ethanol
CID 115819121
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
(1S)-3-(1,3-dioxan-2-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 97293279
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
methyl 4-[(1R)-1-hydroxy-2-methoxyethyl]-2-methoxybenzoate
CID 135189064
1-[4-(1-hydroxyethoxy)-3-iodo-5-methoxyphenyl]-4-(3,4,5-trimethoxyphenyl)butane-1,4-diol
CID 18467385
2-(1,3-thiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79824429

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol (CID 79566976) is 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol is COCC(O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol?
The InChIKey is OQWHEUVMVJQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-14-7-9(13)8-5-10(15-2)12(17-4)11(6-8)16-3/h5-6,9,13H,7H2,1-4H3.
What are the key properties of 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol?
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol has a molecular weight of 242.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 79566976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).