3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol

C13H18O3 — CID 79334340

IUPAC3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCOc1cccc(C=C(C)CO)c1OC
InChIInChI=1S/C13H18O3/c1-4-16-12-7-5-6-11(13(12)15-3)8-10(2)9-14/h5-8,14H,4,9H2,1-3H3
InChIKeyHAPYLHPFTIUXHV-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.49
Rot. Bonds5

About 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol

3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79334340) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79334340
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCOc1cccc(C=C(C)CO)c1OC
InChIInChI=1S/C13H18O3/c1-4-16-12-7-5-6-11(13(12)15-3)8-10(2)9-14/h5-8,14H,4,9H2,1-3H3
InChIKeyHAPYLHPFTIUXHV-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxy-2-methoxy-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 55016783
2-[(3-ethoxy-2-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339431
3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335593
(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 9448944
(E)-3-(3-ethoxy-2-methoxyphenyl)-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8828931
1-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-3-methylthiourea
CID 110508409
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
2-[(2-ethoxy-3-methoxyphenyl)methylidene]propanedinitrile
CID 19183771
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
(NZ)-N-[(3-ethoxy-2-methoxyphenyl)methylidene]benzenesulfonamide
CID 110518819
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol (CID 79334340) is 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol is CCOc1cccc(C=C(C)CO)c1OC.
What is the InChIKey of 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is HAPYLHPFTIUXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-12-7-5-6-11(13(12)15-3)8-10(2)9-14/h5-8,14H,4,9H2,1-3H3.
What are the key properties of 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol?
3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79334340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).