(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol

C16H14ClNO3 — CID 46868797

IUPAC(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol
SMILESC/C(=C\c1ccc([N+](=O)[O-])cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(16(19)13-4-6-14(17)7-5-13)10-12-2-8-15(9-3-12)18(20)21/h2-10,16,19H,1H3/b11-10+
InChIKeySZEIYVKDLHUAIZ-ZHACJKMWSA-N
MW303.75 g/mol
LogP4.39
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol

(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol (PubChem CID 46868797) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol
PubChem CID46868797
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol
SMILESC/C(=C\c1ccc([N+](=O)[O-])cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO3/c1-11(16(19)13-4-6-14(17)7-5-13)10-12-2-8-15(9-3-12)18(20)21/h2-10,16,19H,1H3/b11-10+
InChIKeySZEIYVKDLHUAIZ-ZHACJKMWSA-N
XLogP4.39
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.39
H-Bond Donors ≤ 51
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-[(1R,2S)-1,2-dibromo-2-(4-chlorophenyl)ethyl]-4-nitrobenzene
CID 101113752
1-chloro-4-nitrobenzene;ethane
CID 90737802
CID 70381437
CID 70381437
3-(4-chlorophenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 5185595
(Z)-4,4-difluoro-3-methyl-1-(4-nitrophenyl)but-2-en-1-ol
CID 11644413
3-[hydroxy-(4-nitrophenyl)methyl]but-3-en-2-one
CID 11138668
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
1-(4-chlorophenyl)-1-(4-nitrophenyl)hexan-2-ol
CID 143919567
bis(4-nitrophenyl)methanol
CID 12768612
(Z)-3-fluoro-4-(4-nitrophenyl)but-3-en-2-one
CID 11586518
(E)-1-(4-chlorophenyl)-2-(4-nitrophenoxy)-3-(4-nitrophenyl)prop-2-en-1-one
CID 10717249
1-chloro-1-(4-nitrophenyl)propan-2-one
CID 13381943

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol (CID 46868797) is (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol is C/C(=C\c1ccc([N+](=O)[O-])cc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol?
The InChIKey is SZEIYVKDLHUAIZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-11(16(19)13-4-6-14(17)7-5-13)10-12-2-8-15(9-3-12)18(20)21/h2-10,16,19H,1H3/b11-10+.
What are the key properties of (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol?
(E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol has a molecular weight of 303.75 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ol is sourced from PubChem (CID 46868797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).