2-(4-chloro-2-nitrophenyl)-5-ethylfuran

C12H10ClNO3 — CID 121010413

IUPAC2-(4-chloro-2-nitrophenyl)-5-ethylfuran
SMILESCCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C12H10ClNO3/c1-2-9-4-6-12(17-9)10-5-3-8(13)7-11(10)14(15)16/h3-7H,2H2,1H3
InChIKeyMPHVRIMLSBTZBT-UHFFFAOYSA-N
MW251.67 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-chloro-2-nitrophenyl)-5-ethylfuran

2-(4-chloro-2-nitrophenyl)-5-ethylfuran (PubChem CID 121010413) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(4-chloro-2-nitrophenyl)-5-ethylfuran.

Molecular Properties

Compound Name2-(4-chloro-2-nitrophenyl)-5-ethylfuran
PubChem CID121010413
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(4-chloro-2-nitrophenyl)-5-ethylfuran
SMILESCCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C12H10ClNO3/c1-2-9-4-6-12(17-9)10-5-3-8(13)7-11(10)14(15)16/h3-7H,2H2,1H3
InChIKeyMPHVRIMLSBTZBT-UHFFFAOYSA-N
XLogP4.07
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 54.07
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-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-hydroxyethanone
CID 101497321
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 78809956
(5E)-5-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 126241446
2-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 789763
5-(4-chloro-2-nitrophenyl)-2-methylfuran-3-carboxylic acid
CID 17015024
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 55387231
4-chloro-2-nitroaniline
CID 6979
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
CID 2986929
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675713
6-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912392
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
CID 55387478
(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoate
CID 6932977

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-nitrophenyl)-5-ethylfuran?
The IUPAC name of 2-(4-chloro-2-nitrophenyl)-5-ethylfuran (CID 121010413) is 2-(4-chloro-2-nitrophenyl)-5-ethylfuran.
What is the SMILES notation for 2-(4-chloro-2-nitrophenyl)-5-ethylfuran?
The canonical SMILES for 2-(4-chloro-2-nitrophenyl)-5-ethylfuran is CCc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of 2-(4-chloro-2-nitrophenyl)-5-ethylfuran?
The InChIKey is MPHVRIMLSBTZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-2-9-4-6-12(17-9)10-5-3-8(13)7-11(10)14(15)16/h3-7H,2H2,1H3.
What are the key properties of 2-(4-chloro-2-nitrophenyl)-5-ethylfuran?
2-(4-chloro-2-nitrophenyl)-5-ethylfuran has a molecular weight of 251.67 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-nitrophenyl)-5-ethylfuran is sourced from PubChem (CID 121010413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).