1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol

C13H18O3 — CID 43503877

IUPAC1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1ccc(C(C)O)cc1OC
InChIInChI=1S/C13H18O3/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,10,14H,1,8H2,2-4H3
InChIKeyQKIVMUILXXXINK-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.70
Rot. Bonds5

About 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol

1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol (PubChem CID 43503877) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
PubChem CID43503877
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1ccc(C(C)O)cc1OC
InChIInChI=1S/C13H18O3/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,10,14H,1,8H2,2-4H3
InChIKeyQKIVMUILXXXINK-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol
CID 78931308
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 60880342
1-[3-methoxy-4-(2-methylbutoxy)phenyl]ethanol
CID 62104209
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63364493
(1S)-1-[4-(2-ethylbutoxy)-3-methoxyphenyl]ethanol
CID 82928017
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
3-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]propane-1,2-diol
CID 82851067
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol?
The IUPAC name of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol (CID 43503877) is 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol is C=C(C)COc1ccc(C(C)O)cc1OC.
What is the InChIKey of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol?
The InChIKey is QKIVMUILXXXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)8-16-12-6-5-11(10(3)14)7-13(12)15-4/h5-7,10,14H,1,8H2,2-4H3.
What are the key properties of 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol?
1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 43503877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).