1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene

C16H14ClNO3 — CID 70424303

IUPAC1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene
SMILESCOC(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-21-16(13-6-8-14(17)9-7-13)10-5-12-3-2-4-15(11-12)18(19)20/h2-11,16H,1H3/b10-5-
InChIKeyBGRHAXKNONFQCV-YHYXMXQVSA-N
MW303.75 g/mol
LogP4.65
Rot. Bonds5

About 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene

1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene (PubChem CID 70424303) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene
PubChem CID70424303
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene
SMILESCOC(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-21-16(13-6-8-14(17)9-7-13)10-5-12-3-2-4-15(11-12)18(19)20/h2-11,16H,1H3/b10-5-
InChIKeyBGRHAXKNONFQCV-YHYXMXQVSA-N
XLogP4.65
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-[3-(4-methylphenyl)-3-[1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-3-nitrobenzene
CID 173033162
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(4-chlorophenyl)methyl (E)-3-(3-nitrophenyl)prop-2-enoate
CID 2240580
1-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]-3-nitrobenzene
CID 68561603
1-[(E)-2-[(4-chlorophenyl)methylsulfinyl]ethenyl]-3-nitrobenzene
CID 68561598
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
(E)-N-(4-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 881540
(E)-N-(5-chloro-2-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 884286
dimethyl 2-[1-(1,3-benzodioxol-5-yl)-3-(3-nitrophenyl)prop-2-enyl]propanedioate
CID 70120503
1-(3-nitrophenyl)prop-1-en-2-yl acetate
CID 131853460
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene?
The IUPAC name of 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene (CID 70424303) is 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene.
What is the SMILES notation for 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene?
The canonical SMILES for 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene is COC(/C=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene?
The InChIKey is BGRHAXKNONFQCV-YHYXMXQVSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-16(13-6-8-14(17)9-7-13)10-5-12-3-2-4-15(11-12)18(19)20/h2-11,16H,1H3/b10-5-.
What are the key properties of 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene?
1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene has a molecular weight of 303.75 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(4-chlorophenyl)-3-methoxyprop-1-enyl]-3-nitrobenzene is sourced from PubChem (CID 70424303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).