(1R)-1-(3,4,5-trimethoxyphenyl)ethanol

C11H16O4 — CID 63365303

IUPAC(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc([C@@H](C)O)cc(OC)c1OC
InChIInChI=1S/C11H16O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7,12H,1-4H3/t7-/m1/s1
InChIKeyIONRJSKJWDOGAY-SSDOTTSWSA-N
MW212.24 g/mol
LogP1.77
Rot. Bonds4

About (1R)-1-(3,4,5-trimethoxyphenyl)ethanol

(1R)-1-(3,4,5-trimethoxyphenyl)ethanol (PubChem CID 63365303) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1R)-1-(3,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
PubChem CID63365303
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc([C@@H](C)O)cc(OC)c1OC
InChIInChI=1S/C11H16O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7,12H,1-4H3/t7-/m1/s1
InChIKeyIONRJSKJWDOGAY-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

2-amino-1-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 75069436
5-(1-hydroxyethyl)-2,3-dimethoxybenzonitrile
CID 117295608
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
1-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 58223484
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
2-sulfanyl-1-(3,4,5-trimethoxyphenyl)ethanol
CID 116830062
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
(1S,2S)-1-(3-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10247286
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
(1R,2S)-1-amino-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171160832

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of (1R)-1-(3,4,5-trimethoxyphenyl)ethanol (CID 63365303) is (1R)-1-(3,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-1-(3,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for (1R)-1-(3,4,5-trimethoxyphenyl)ethanol is COc1cc([C@@H](C)O)cc(OC)c1OC.
What is the InChIKey of (1R)-1-(3,4,5-trimethoxyphenyl)ethanol?
The InChIKey is IONRJSKJWDOGAY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-7,12H,1-4H3/t7-/m1/s1.
What are the key properties of (1R)-1-(3,4,5-trimethoxyphenyl)ethanol?
(1R)-1-(3,4,5-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-(3,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 63365303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).