1-(3-ethoxy-4-methoxyphenyl)ethanol

C11H16O3 — CID 59391643

IUPAC1-(3-ethoxy-4-methoxyphenyl)ethanol
SMILESCCOc1cc(C(C)O)ccc1OC
InChIInChI=1S/C11H16O3/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3/h5-8,12H,4H2,1-3H3
InChIKeyHEODDLYXMFYQES-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-ethoxy-4-methoxyphenyl)ethanol

1-(3-ethoxy-4-methoxyphenyl)ethanol (PubChem CID 59391643) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethoxy-4-methoxyphenyl)ethanol
PubChem CID59391643
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(3-ethoxy-4-methoxyphenyl)ethanol
SMILESCCOc1cc(C(C)O)ccc1OC
InChIInChI=1S/C11H16O3/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3/h5-8,12H,4H2,1-3H3
InChIKeyHEODDLYXMFYQES-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844
(S)-(3,5-dimethoxyphenyl)-(3-ethoxy-4-methoxyphenyl)methanol
CID 129391240
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-ethoxy-4-methoxyphenyl)ethanol (CID 59391643) is 1-(3-ethoxy-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-ethoxy-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-ethoxy-4-methoxyphenyl)ethanol is CCOc1cc(C(C)O)ccc1OC.
What is the InChIKey of 1-(3-ethoxy-4-methoxyphenyl)ethanol?
The InChIKey is HEODDLYXMFYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3/h5-8,12H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-methoxyphenyl)ethanol?
1-(3-ethoxy-4-methoxyphenyl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methoxyphenyl)ethanol is sourced from PubChem (CID 59391643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).