1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol

C14H14ClNO4 — CID 104668330

IUPAC1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C14H14ClNO4/c1-3-12(17)14-5-4-13(20-14)9-7-10(15)11(16(18)19)6-8(9)2/h4-7,12,17H,3H2,1-2H3
InChIKeyRBPRLHUDZFEZHJ-UHFFFAOYSA-N
MW295.72 g/mol
LogP4.26
Rot. Bonds4

About 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol

1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol (PubChem CID 104668330) has the molecular formula C14H14ClNO4 and a molecular weight of 295.72 g/mol. Its IUPAC name is 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol
PubChem CID104668330
Molecular FormulaC14H14ClNO4
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol
SMILESCCC(O)c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2C)o1
InChIInChI=1S/C14H14ClNO4/c1-3-12(17)14-5-4-13(20-14)9-7-10(15)11(16(18)19)6-8(9)2/h4-7,12,17H,3H2,1-2H3
InChIKeyRBPRLHUDZFEZHJ-UHFFFAOYSA-N
XLogP4.26
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]ethanamine
CID 104668279
1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]ethanol
CID 103145667
1-[5-(2,4-dimethylphenyl)furan-2-yl]propan-1-ol
CID 62633649
1-[5-(4-bromo-3-nitrophenyl)furan-2-yl]propan-1-ol
CID 79767941
(NE)-N-[[5-(5-chloro-4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 56736970
1-(2-bromobutyl)-5-chloro-2-methyl-4-nitrobenzene
CID 115556389
(4Z)-2-(2-bromophenyl)-4-[[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
CID 19669602
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984
N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
CID 5137705
2-[(5-chloro-2-methyl-4-nitroanilino)methyl]butanoic acid
CID 113334495
1-[2-(5-chloro-2-methyl-4-nitroanilino)ethylamino]propan-2-ol
CID 104594409
1-[5-(3-methylphenyl)furan-2-yl]propan-1-ol
CID 62633648

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol?
The IUPAC name of 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol (CID 104668330) is 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol?
The canonical SMILES for 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol is CCC(O)c1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2C)o1.
What is the InChIKey of 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol?
The InChIKey is RBPRLHUDZFEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4/c1-3-12(17)14-5-4-13(20-14)9-7-10(15)11(16(18)19)6-8(9)2/h4-7,12,17H,3H2,1-2H3.
What are the key properties of 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol?
1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol has a molecular weight of 295.72 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-chloro-2-methyl-4-nitrophenyl)furan-2-yl]propan-1-ol is sourced from PubChem (CID 104668330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).