1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol

C12H15NO3 — CID 63354561

IUPAC1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc(CCC(O)C2CC2)c1
InChIInChI=1S/C12H15NO3/c14-12(10-5-6-10)7-4-9-2-1-3-11(8-9)13(15)16/h1-3,8,10,12,14H,4-7H2
InChIKeyXYRYVRABLZEANR-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.30
Rot. Bonds5

About 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol

1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol (PubChem CID 63354561) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol
PubChem CID63354561
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol
SMILESO=[N+]([O-])c1cccc(CCC(O)C2CC2)c1
InChIInChI=1S/C12H15NO3/c14-12(10-5-6-10)7-4-9-2-1-3-11(8-9)13(15)16/h1-3,8,10,12,14H,4-7H2
InChIKeyXYRYVRABLZEANR-UHFFFAOYSA-N
XLogP2.30
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.30
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-(3-bromo-3-cyclopentylpropyl)-3-nitrobenzene
CID 113390423
1-cyclopropyl-3-(2,4-dinitrophenyl)propan-1-ol
CID 66223940
1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
CID 63355258
3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol
CID 63354831
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
CID 157363920
CID 157363920
1,1,1-trifluoro-4-(3-nitrophenyl)butan-2-amine
CID 117047387
1-(2-cyclohex-3-en-1-ylethyl)-3-nitrobenzene
CID 90317395
1-(2-iodoethyl)-3-nitrobenzene
CID 53237888
O-[2-(3-nitrophenyl)ethyl]hydroxylamine
CID 67062828
1-amino-2-(3-nitrophenyl)ethanol
CID 67570704
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol (CID 63354561) is 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol is O=[N+]([O-])c1cccc(CCC(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol?
The InChIKey is XYRYVRABLZEANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(10-5-6-10)7-4-9-2-1-3-11(8-9)13(15)16/h1-3,8,10,12,14H,4-7H2.
What are the key properties of 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol?
1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-nitrophenyl)propan-1-ol is sourced from PubChem (CID 63354561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).