(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol

C14H21NO2 — CID 113360091

IUPAC(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-12(16)4-5-13-6-8-14(9-7-13)17-11-10-15(2)3/h4-9,12,16H,10-11H2,1-3H3/b5-4+
InChIKeyKDZJGTQUUJUOIO-SNAWJCMRSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds6

About (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol

(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol (PubChem CID 113360091) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
PubChem CID113360091
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(OCCN(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-12(16)4-5-13-6-8-14(9-7-13)17-11-10-15(2)3/h4-9,12,16H,10-11H2,1-3H3/b5-4+
InChIKeyKDZJGTQUUJUOIO-SNAWJCMRSA-N
XLogP2.02
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chloroprop-1-enyl)phenoxy]-N,N-dimethylethanamine
CID 79334607
tert-butyl 3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate
CID 69301263
(NE)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]hydroxylamine
CID 14425923
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-1-amine
CID 63968014
N,N-dimethyl-2-[4-[(E)-2-nitroethenyl]phenoxy]ethanamine
CID 55017611
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-enamide
CID 170798811
N,N-dimethyl-3-[4-[(Z)-prop-1-enyl]phenoxy]propan-1-amine
CID 143260557
3-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 79340088
3-[4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76940124
(E,3S,4R)-1-(4-butoxyphenyl)-4-(dimethylamino)hex-1-en-3-ol
CID 159218615
N,N-dimethyl-2-[4-(4-phenylbut-1-enyl)phenoxy]ethanamine
CID 173386567
3-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]phenyl]prop-2-enoic acid
CID 76951172

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol?
The IUPAC name of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol (CID 113360091) is (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol.
What is the SMILES notation for (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol?
The canonical SMILES for (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol is CC(O)/C=C/c1ccc(OCCN(C)C)cc1.
What is the InChIKey of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol?
The InChIKey is KDZJGTQUUJUOIO-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(16)4-5-13-6-8-14(9-7-13)17-11-10-15(2)3/h4-9,12,16H,10-11H2,1-3H3/b5-4+.
What are the key properties of (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol?
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol is sourced from PubChem (CID 113360091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).