2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid

C14H10ClNO4 — CID 11608998

IUPAC2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid
SMILESO=C(O)Cc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO4/c15-11-3-1-9(2-4-11)13-6-5-12(16(19)20)7-10(13)8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyOLQHKNJHWMGGGC-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.54
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid

2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid (PubChem CID 11608998) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid
PubChem CID11608998
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid
SMILESO=C(O)Cc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO4/c15-11-3-1-9(2-4-11)13-6-5-12(16(19)20)7-10(13)8-14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyOLQHKNJHWMGGGC-UHFFFAOYSA-N
XLogP3.54
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.54
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

2-(4-chlorophenyl)-5-nitrobenzoic acid
CID 68803337
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
4-[4-[[2-(4-chlorophenyl)-5-nitrophenyl]methyl]piperazin-1-yl]benzoic acid
CID 170329974
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
methyl 2-(4-chlorophenyl)-5-nitrobenzoate
CID 69324152
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
2-(carboxymethyl)-4-nitrobenzoic acid
CID 7172025
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-(5-nitro-2-pyrrolidin-1-ylphenyl)acetic acid
CID 70552620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid (CID 11608998) is 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid is O=C(O)Cc1cc([N+](=O)[O-])ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid?
The InChIKey is OLQHKNJHWMGGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c15-11-3-1-9(2-4-11)13-6-5-12(16(19)20)7-10(13)8-14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid?
2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid has a molecular weight of 291.69 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-nitrophenyl]acetic acid is sourced from PubChem (CID 11608998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).