3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol

C12H14ClNO3 — CID 63354831

IUPAC3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol
SMILESO=[N+]([O-])c1ccc(CCC(O)C2CC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO3/c13-11-7-10(14(16)17)5-3-8(11)4-6-12(15)9-1-2-9/h3,5,7,9,12,15H,1-2,4,6H2
InChIKeyBEJQEJARQPUMQO-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.95
Rot. Bonds5

About 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol

3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol (PubChem CID 63354831) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol
PubChem CID63354831
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol
SMILESO=[N+]([O-])c1ccc(CCC(O)C2CC2)c(Cl)c1
InChIInChI=1S/C12H14ClNO3/c13-11-7-10(14(16)17)5-3-8(11)4-6-12(15)9-1-2-9/h3,5,7,9,12,15H,1-2,4,6H2
InChIKeyBEJQEJARQPUMQO-UHFFFAOYSA-N
XLogP2.95
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.95
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-cyclopropyl-3-(2,4-dinitrophenyl)propan-1-ol
CID 66223940
1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol
CID 63354561
2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol
CID 55218910
2-(2-chloro-4-nitrophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110026527
1-(2-chloro-4-nitrophenyl)-3-methylbutan-2-one
CID 63199228
2-[[2-(2-chloro-4-nitrophenyl)acetyl]amino]-3-cyclopropylpropanoic acid
CID 120535892
1-[2-(2-chloro-4-nitrophenyl)ethyl]piperazine
CID 174561266
2-(2-chloro-4-nitrophenyl)ethanethioic S-acid
CID 91621429
1-[1-[(2-chloro-4-nitrophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976475
2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
CID 63353057
methyl 3-(2-chloro-4-nitrophenyl)propanoate
CID 70066085
1-cyclopentyl-3-(2-fluoro-3-nitrophenyl)propan-1-ol
CID 107350527

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol?
The IUPAC name of 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol (CID 63354831) is 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol?
The canonical SMILES for 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol is O=[N+]([O-])c1ccc(CCC(O)C2CC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol?
The InChIKey is BEJQEJARQPUMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-11-7-10(14(16)17)5-3-8(11)4-6-12(15)9-1-2-9/h3,5,7,9,12,15H,1-2,4,6H2.
What are the key properties of 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol?
3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol has a molecular weight of 255.70 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol is sourced from PubChem (CID 63354831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).