1-(2-ethyl-3,4-dimethoxyphenyl)ethanol

C12H18O3 — CID 84677809

IUPAC1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
SMILESCCc1c(C(C)O)ccc(OC)c1OC
InChIInChI=1S/C12H18O3/c1-5-9-10(8(2)13)6-7-11(14-3)12(9)15-4/h6-8,13H,5H2,1-4H3
InChIKeyKVVGZVIPSFOCNV-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol

1-(2-ethyl-3,4-dimethoxyphenyl)ethanol (PubChem CID 84677809) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
PubChem CID84677809
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2-ethyl-3,4-dimethoxyphenyl)ethanol
SMILESCCc1c(C(C)O)ccc(OC)c1OC
InChIInChI=1S/C12H18O3/c1-5-9-10(8(2)13)6-7-11(14-3)12(9)15-4/h6-8,13H,5H2,1-4H3
InChIKeyKVVGZVIPSFOCNV-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
ethane;2-(2-ethyl-3,4-dimethoxyphenyl)butanamide
CID 143569766
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
(2-ethyl-3,4-dimethoxyphenyl)sulfanyl acetate
CID 175747289
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
1-(3-ethyl-2-methoxyphenyl)ethanol
CID 84657475
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol (CID 84677809) is 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol is CCc1c(C(C)O)ccc(OC)c1OC.
What is the InChIKey of 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol?
The InChIKey is KVVGZVIPSFOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-5-9-10(8(2)13)6-7-11(14-3)12(9)15-4/h6-8,13H,5H2,1-4H3.
What are the key properties of 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol?
1-(2-ethyl-3,4-dimethoxyphenyl)ethanol has a molecular weight of 210.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 84677809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).