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

C24H23NO4 — CID 132522832

IUPAC(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
SMILESCOc1ccc(C(/C=C\Cc2ccccc2)C(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H23NO4/c1-29-22-16-12-19(13-17-22)23(9-5-8-18-6-3-2-4-7-18)24(26)20-10-14-21(15-11-20)25(27)28/h2-7,9-17,23-24,26H,8H2,1H3/b9-5-
InChIKeyCLDRWDYYMFZMOC-UITAMQMPSA-N
MW389.45 g/mol
LogP5.22
Rot. Bonds8

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

(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol (PubChem CID 132522832) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
PubChem CID132522832
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
SMILESCOc1ccc(C(/C=C\Cc2ccccc2)C(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C24H23NO4/c1-29-22-16-12-19(13-17-22)23(9-5-8-18-6-3-2-4-7-18)24(26)20-10-14-21(15-11-20)25(27)28/h2-7,9-17,23-24,26H,8H2,1H3/b9-5-
InChIKeyCLDRWDYYMFZMOC-UITAMQMPSA-N
XLogP5.22
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-(2-bromophenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol
CID 132522837
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(1R,2S)-2-(4-methoxyphenyl)-1-phenylbut-3-en-1-ol
CID 134903492
1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 132591699
[(Z,3S,4R)-4-hydroxy-3-(4-methoxyphenyl)-4-phenylbut-1-enyl] acetate
CID 132500061
(3S,4S)-4-hydroxy-4-(4-nitrophenyl)-3-phenylmethoxybutan-2-one
CID 102383826
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
CID 132506412
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-nitrobenzene
CID 63017817
[2-(4-methoxybenzoyl)oxy-1-phenylethyl] 4-nitrobenzoate
CID 10717064
(Z,1R,2S)-2-(2-bromophenyl)-1-(4-nitrophenyl)-7-phenylhept-3-en-6-yn-1-ol
CID 134960961
3-anilino-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 2947002

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
The IUPAC name of (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol (CID 132522832) is (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol.
What is the SMILES notation for (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
The canonical SMILES for (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol is COc1ccc(C(/C=C\Cc2ccccc2)C(O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
The InChIKey is CLDRWDYYMFZMOC-UITAMQMPSA-N. The full InChI is InChI=1S/C24H23NO4/c1-29-22-16-12-19(13-17-22)23(9-5-8-18-6-3-2-4-7-18)24(26)20-10-14-21(15-11-20)25(27)28/h2-7,9-17,23-24,26H,8H2,1H3/b9-5-.
What are the key properties of (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol?
(Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol has a molecular weight of 389.45 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenylpent-3-en-1-ol is sourced from PubChem (CID 132522832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).