(Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol

C23H20BrNO3 — CID 132522837

IUPAC(Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
SMILESO=[N+]([O-])c1ccc(C(O)C(/C=C\Cc2ccccc2)c2ccccc2Br)cc1
InChIInChI=1S/C23H20BrNO3/c24-22-12-5-4-10-20(22)21(11-6-9-17-7-2-1-3-8-17)23(26)18-13-15-19(16-14-18)25(27)28/h1-8,10-16,21,23,26H,9H2/b11-6-
InChIKeyZTCYOGYDIOLCBO-WDZFZDKYSA-N
MW438.32 g/mol
LogP5.97
Rot. Bonds7

About (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol

(Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol (PubChem CID 132522837) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
PubChem CID132522837
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Name(Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
SMILESO=[N+]([O-])c1ccc(C(O)C(/C=C\Cc2ccccc2)c2ccccc2Br)cc1
InChIInChI=1S/C23H20BrNO3/c24-22-12-5-4-10-20(22)21(11-6-9-17-7-2-1-3-8-17)23(26)18-13-15-19(16-14-18)25(27)28/h1-8,10-16,21,23,26H,9H2/b11-6-
InChIKeyZTCYOGYDIOLCBO-WDZFZDKYSA-N
XLogP5.97
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(2-fluorophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
CID 132522833
(Z,1R,2S)-2-(2-bromophenyl)-1-(4-nitrophenyl)-7-phenylhept-3-en-6-yn-1-ol
CID 134960961
(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
CID 132522832
1-(4-nitrophenyl)-3-phenylpropan-1-ol
CID 155543661
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(1R,2R)-1-(2-bromophenyl)-2-nitropropane-1,3-diol
CID 150861933
2-amino-1-(4-nitrophenyl)propane-1,3-diol;nitric acid
CID 165362766
2-benzylsulfanyl-1-bromo-4-nitrobenzene
CID 139703300
(3S,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenylmethoxybutan-2-one
CID 102383826
1-(2-bromophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064825
(2S,3R)-3-hydroxy-2-methyl-3-(4-nitrophenyl)propanal
CID 11858496
(1R,2S)-1-amino-1-(4-nitrophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171260882

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
The IUPAC name of (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol (CID 132522837) is (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol.
What is the SMILES notation for (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
The canonical SMILES for (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol is O=[N+]([O-])c1ccc(C(O)C(/C=C\Cc2ccccc2)c2ccccc2Br)cc1.
What is the InChIKey of (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
The InChIKey is ZTCYOGYDIOLCBO-WDZFZDKYSA-N. The full InChI is InChI=1S/C23H20BrNO3/c24-22-12-5-4-10-20(22)21(11-6-9-17-7-2-1-3-8-17)23(26)18-13-15-19(16-14-18)25(27)28/h1-8,10-16,21,23,26H,9H2/b11-6-.
What are the key properties of (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
(Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol has a molecular weight of 438.32 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol is sourced from PubChem (CID 132522837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).