1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol

C13H19ClO4 — CID 79566842

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
SMILESCOc1ccc(C(O)COC(C)C)c(Cl)c1OC
InChIInChI=1S/C13H19ClO4/c1-8(2)18-7-10(15)9-5-6-11(16-3)13(17-4)12(9)14/h5-6,8,10,15H,7H2,1-4H3
InChIKeyUCCUIOUYYQHYAY-UHFFFAOYSA-N
MW274.74 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol

1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol (PubChem CID 79566842) has the molecular formula C13H19ClO4 and a molecular weight of 274.74 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
PubChem CID79566842
Molecular FormulaC13H19ClO4
Molecular Weight274.74 g/mol
Exact Mass274.10
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
SMILESCOc1ccc(C(O)COC(C)C)c(Cl)c1OC
InChIInChI=1S/C13H19ClO4/c1-8(2)18-7-10(15)9-5-6-11(16-3)13(17-4)12(9)14/h5-6,8,10,15H,7H2,1-4H3
InChIKeyUCCUIOUYYQHYAY-UHFFFAOYSA-N
XLogP2.82
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
CID 115821571
3-bromo-1-(2-chloro-3,4-dimethoxyphenyl)propane-1,2-diol
CID 171861224
1-(1-bromoethyl)-2-chloro-3,4-dimethoxybenzene
CID 174509995
[2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethyl]hydrazine
CID 105323684
(1R,2S)-1-amino-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171261628
1-(2-chloro-3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 63895522
2-amino-1-(2-chloro-3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 63630961
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclopropylethanol;hydrochloride
CID 171267302
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol (CID 79566842) is 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol is COc1ccc(C(O)COC(C)C)c(Cl)c1OC.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol?
The InChIKey is UCCUIOUYYQHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO4/c1-8(2)18-7-10(15)9-5-6-11(16-3)13(17-4)12(9)14/h5-6,8,10,15H,7H2,1-4H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol?
1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol has a molecular weight of 274.74 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 79566842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).