3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol

C13H18O3 — CID 79335593

IUPAC3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCOc1cc(C=C(C)CO)ccc1OC
InChIInChI=1S/C13H18O3/c1-4-16-13-8-11(7-10(2)9-14)5-6-12(13)15-3/h5-8,14H,4,9H2,1-3H3
InChIKeyCFUOZPAGABPFCR-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.49
Rot. Bonds5

About 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol

3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol (PubChem CID 79335593) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
PubChem CID79335593
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol
SMILESCCOc1cc(C=C(C)CO)ccc1OC
InChIInChI=1S/C13H18O3/c1-4-16-13-8-11(7-10(2)9-14)5-6-12(13)15-3/h5-8,14H,4,9H2,1-3H3
InChIKeyCFUOZPAGABPFCR-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

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Related Compounds

3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
3-(3-ethoxy-4-methoxyphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79341431
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334099
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methylbutan-1-ol
CID 79335808
(Z)-4-(3-ethoxy-4-methoxyphenyl)-N,3-dimethylbut-3-en-2-amine
CID 103092940
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
(NZ)-N-[(3-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 6199793
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
3-(3,4-dimethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340572
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603194

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol (CID 79335593) is 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol is CCOc1cc(C=C(C)CO)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol?
The InChIKey is CFUOZPAGABPFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-4-16-13-8-11(7-10(2)9-14)5-6-12(13)15-3/h5-8,14H,4,9H2,1-3H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)-2-methylprop-2-en-1-ol?
3-(3-ethoxy-4-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-4-methoxyphenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79335593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).