(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol

C15H23NO2 — CID 6366807

IUPAC(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
SMILESCCN(CC)CC(O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-4-16(5-2)12-14(17)9-6-13-7-10-15(18-3)11-8-13/h6-11,14,17H,4-5,12H2,1-3H3/b9-6+
InChIKeyRZDLGFLUHLKHGQ-RMKNXTFCSA-N
MW249.35 g/mol
LogP2.41
Rot. Bonds7

About (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol

(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol (PubChem CID 6366807) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
PubChem CID6366807
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
SMILESCCN(CC)CC(O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C15H23NO2/c1-4-16(5-2)12-14(17)9-6-13-7-10-15(18-3)11-8-13/h6-11,14,17H,4-5,12H2,1-3H3/b9-6+
InChIKeyRZDLGFLUHLKHGQ-RMKNXTFCSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
(E)-5-(diethylamino)-1-(4-methoxyphenyl)pent-1-en-3-one;hydrochloride
CID 45261861
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
CID 24842156
N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
CID 162418078
(E)-N-ethyl-3-(4-methoxyphenyl)-N-(2-sulfanylpropyl)prop-2-enamide
CID 146661377
N-(2-hydroxy-3-methoxypropyl)-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 76911057

Frequently Asked Questions

What is the IUPAC name of (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol?
The IUPAC name of (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol (CID 6366807) is (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol?
The canonical SMILES for (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol is CCN(CC)CC(O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol?
The InChIKey is RZDLGFLUHLKHGQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(5-2)12-14(17)9-6-13-7-10-15(18-3)11-8-13/h6-11,14,17H,4-5,12H2,1-3H3/b9-6+.
What are the key properties of (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol?
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 6366807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).