4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol

C12H17NO2 — CID 103091555

IUPAC4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=C/C(C)N)ccc1O
InChIInChI=1S/C12H17NO2/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14/h4-9,14H,3,13H2,1-2H3/b5-4+
InChIKeyALUFBTVHXSFTCL-SNAWJCMRSA-N
MW207.27 g/mol
LogP2.15
Rot. Bonds4

About 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol

4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol (PubChem CID 103091555) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol
PubChem CID103091555
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol
SMILESCCOc1cc(/C=C/C(C)N)ccc1O
InChIInChI=1S/C12H17NO2/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14/h4-9,14H,3,13H2,1-2H3/b5-4+
InChIKeyALUFBTVHXSFTCL-SNAWJCMRSA-N
XLogP2.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2,2-dichloroethenyl)-2-ethoxyphenol
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2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
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3-ethoxy-4-hydroxybenzaldehyde;formic acid
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ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
4-deca-1,7-dienyl-2-ethoxyphenol
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1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
4-amino-2-ethoxyphenol
CID 12856010
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449
3-(3-ethoxy-4-hydroxyphenyl)-1-(1-propan-2-ylpyrazol-4-yl)prop-2-en-1-one
CID 76878025
4-[(E)-3-hydroxybut-1-enyl]-2-methoxyphenol
CID 102548714
2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 6489963

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol?
The IUPAC name of 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol (CID 103091555) is 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol is CCOc1cc(/C=C/C(C)N)ccc1O.
What is the InChIKey of 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol?
The InChIKey is ALUFBTVHXSFTCL-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-12-8-10(5-4-9(2)13)6-7-11(12)14/h4-9,14H,3,13H2,1-2H3/b5-4+.
What are the key properties of 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol?
4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol is sourced from PubChem (CID 103091555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).