(1R)-1-(2,4,5-trimethoxyphenyl)ethanol

C11H16O4 — CID 163198569

IUPAC(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@@H](C)O)cc1OC
InChIInChI=1S/C11H16O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-7,12H,1-4H3/t7-/m1/s1
InChIKeyYLBPNQSWBPAASQ-SSDOTTSWSA-N
MW212.24 g/mol
LogP1.77
Rot. Bonds4

About (1R)-1-(2,4,5-trimethoxyphenyl)ethanol

(1R)-1-(2,4,5-trimethoxyphenyl)ethanol (PubChem CID 163198569) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1R)-1-(2,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
PubChem CID163198569
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c([C@@H](C)O)cc1OC
InChIInChI=1S/C11H16O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-7,12H,1-4H3/t7-/m1/s1
InChIKeyYLBPNQSWBPAASQ-SSDOTTSWSA-N
XLogP1.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-5-methylphenyl)ethanol
CID 84666953
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
1-(2-bromo-4,5-dimethoxyphenyl)ethanol
CID 12605921
2-methoxy-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 162953882
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
1-(4,5-dimethoxy-2-nitrosophenyl)ethanol
CID 88927442
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
3-amino-2-methyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65190714
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
CID 46848158
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(2,4,5-trimethoxyphenyl)ethanol (CID 163198569) is (1R)-1-(2,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(2,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(2,4,5-trimethoxyphenyl)ethanol is COc1cc(OC)c([C@@H](C)O)cc1OC.
What is the InChIKey of (1R)-1-(2,4,5-trimethoxyphenyl)ethanol?
The InChIKey is YLBPNQSWBPAASQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-7,12H,1-4H3/t7-/m1/s1.
What are the key properties of (1R)-1-(2,4,5-trimethoxyphenyl)ethanol?
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol has a molecular weight of 212.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 163198569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).