2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol

C14H22O5 — CID 79566977

IUPAC2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COC(C)C)c(OC)c1OC
InChIInChI=1S/C14H22O5/c1-9(2)19-8-11(15)10-6-7-12(16-3)14(18-5)13(10)17-4/h6-7,9,11,15H,8H2,1-5H3
InChIKeyIYFXATCIOSRDBP-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.17
Rot. Bonds7

About 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol

2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol (PubChem CID 79566977) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
PubChem CID79566977
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)COC(C)C)c(OC)c1OC
InChIInChI=1S/C14H22O5/c1-9(2)19-8-11(15)10-6-7-12(16-3)14(18-5)13(10)17-4/h6-7,9,11,15H,8H2,1-5H3
InChIKeyIYFXATCIOSRDBP-UHFFFAOYSA-N
XLogP2.17
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
CID 79566842
[2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethyl]hydrazine
CID 105323684
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 61082565
4-methoxy-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol
CID 103028273
(1R,3R)-3-amino-4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-ol;hydrochloride
CID 171237731
4-methylsulfonyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65148516
1-(1-bromoethyl)-2,3,4-trimethoxybenzene
CID 61096403
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
2-(1,3-thiazol-2-yl)-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79823539

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol?
The IUPAC name of 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol (CID 79566977) is 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol is COc1ccc(C(O)COC(C)C)c(OC)c1OC.
What is the InChIKey of 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol?
The InChIKey is IYFXATCIOSRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-9(2)19-8-11(15)10-6-7-12(16-3)14(18-5)13(10)17-4/h6-7,9,11,15H,8H2,1-5H3.
What are the key properties of 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol?
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol has a molecular weight of 270.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol is sourced from PubChem (CID 79566977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).