(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol

C14H18BrNO2 — CID 11971886

IUPAC(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol
SMILESOC(/C=C/c1ccc(Br)cc1)CN1CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-13-4-1-12(2-5-13)3-6-14(17)11-16-7-9-18-10-8-16/h1-6,14,17H,7-11H2/b6-3+
InChIKeyGZLDAZRVZSVQRE-ZZXKWVIFSA-N
MW312.21 g/mol
LogP2.16
Rot. Bonds4

About (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol

(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol (PubChem CID 11971886) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol
PubChem CID11971886
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol
SMILESOC(/C=C/c1ccc(Br)cc1)CN1CCOCC1
InChIInChI=1S/C14H18BrNO2/c15-13-4-1-12(2-5-13)3-6-14(17)11-16-7-9-18-10-8-16/h1-6,14,17H,7-11H2/b6-3+
InChIKeyGZLDAZRVZSVQRE-ZZXKWVIFSA-N
XLogP2.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
CID 3062131
(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol
CID 154584740
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
2-(4-bromophenyl)-3-morpholin-4-ylpropanoic acid
CID 82095248
1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol;hydron;chloride
CID 2999825
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
CID 24842156
(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
CID 903165
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
(E)-1,3-bis(4-bromophenyl)prop-2-en-1-ol
CID 24894592
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
CID 71900151

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol?
The IUPAC name of (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol (CID 11971886) is (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol is OC(/C=C/c1ccc(Br)cc1)CN1CCOCC1.
What is the InChIKey of (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol?
The InChIKey is GZLDAZRVZSVQRE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-4-1-12(2-5-13)3-6-14(17)11-16-7-9-18-10-8-16/h1-6,14,17H,7-11H2/b6-3+.
What are the key properties of (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol?
(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol has a molecular weight of 312.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol is sourced from PubChem (CID 11971886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).