(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one

C15H10ClNO4 — CID 6081182

IUPAC(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H10ClNO4/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17(20)21)6-8-15(13)19/h1-9,19H/b7-3+
InChIKeyMVLWMRBSXZYPFZ-XVNBXDOJSA-N
MW303.70 g/mol
LogP3.85
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one

(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one (PubChem CID 6081182) has the molecular formula C15H10ClNO4 and a molecular weight of 303.70 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
PubChem CID6081182
Molecular FormulaC15H10ClNO4
Molecular Weight303.70 g/mol
Exact Mass303.03
IUPAC Name(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H10ClNO4/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17(20)21)6-8-15(13)19/h1-9,19H/b7-3+
InChIKeyMVLWMRBSXZYPFZ-XVNBXDOJSA-N
XLogP3.85
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 71325793
3-(4-chlorophenyl)-1-(2,5-dihydroxyphenyl)prop-2-en-1-one
CID 54161094
(E)-3-(4-bromophenyl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
CID 75539269
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-nitrobenzoic acid
CID 134086634
(Z)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92965064
(E)-1-(2-hydroxy-5-nitrophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 6305667
(E)-1-(2-hydroxy-5-nitrophenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
CID 18782955
(E)-1-(2-bromo-5-nitrophenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 141235888
(3-nitrophenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7926091
2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-4-nitrophenolate
CID 7346874
(4-chlorophenyl)methyl 2-hydroxy-5-nitrobenzoate
CID 3482319

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one (CID 6081182) is (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
The InChIKey is MVLWMRBSXZYPFZ-XVNBXDOJSA-N. The full InChI is InChI=1S/C15H10ClNO4/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17(20)21)6-8-15(13)19/h1-9,19H/b7-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one?
(E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one has a molecular weight of 303.70 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-1-(2-hydroxy-5-nitrophenyl)prop-2-en-1-one is sourced from PubChem (CID 6081182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).