1-(5-ethoxy-2-methoxyphenyl)propan-1-ol

C12H18O3 — CID 82265613

IUPAC1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
SMILESCCOc1ccc(OC)c(C(O)CC)c1
InChIInChI=1S/C12H18O3/c1-4-11(13)10-8-9(15-5-2)6-7-12(10)14-3/h6-8,11,13H,4-5H2,1-3H3
InChIKeyAAXYSCAJEILRTF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.54
Rot. Bonds5

About 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol

1-(5-ethoxy-2-methoxyphenyl)propan-1-ol (PubChem CID 82265613) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
PubChem CID82265613
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
SMILESCCOc1ccc(OC)c(C(O)CC)c1
InChIInChI=1S/C12H18O3/c1-4-11(13)10-8-9(15-5-2)6-7-12(10)14-3/h6-8,11,13H,4-5H2,1-3H3
InChIKeyAAXYSCAJEILRTF-UHFFFAOYSA-N
XLogP2.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
CID 65136288
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-ol
CID 139965700
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
(5-ethoxy-2-methoxyphenyl)methanol
CID 82643938
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
CID 139659328

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol (CID 82265613) is 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol is CCOc1ccc(OC)c(C(O)CC)c1.
What is the InChIKey of 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol?
The InChIKey is AAXYSCAJEILRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-11(13)10-8-9(15-5-2)6-7-12(10)14-3/h6-8,11,13H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol?
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 82265613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).