3-(3-nitrosophenyl)propan-1-ol

C9H11NO2 — CID 89053704

IUPAC3-(3-nitrosophenyl)propan-1-ol
SMILESO=Nc1cccc(CCCO)c1
InChIInChI=1S/C9H11NO2/c11-6-2-4-8-3-1-5-9(7-8)10-12/h1,3,5,7,11H,2,4,6H2
InChIKeyPDSJFDCSHCXXML-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.01
Rot. Bonds4

About 3-(3-nitrosophenyl)propan-1-ol

3-(3-nitrosophenyl)propan-1-ol (PubChem CID 89053704) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(3-nitrosophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-nitrosophenyl)propan-1-ol
PubChem CID89053704
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(3-nitrosophenyl)propan-1-ol
SMILESO=Nc1cccc(CCCO)c1
InChIInChI=1S/C9H11NO2/c11-6-2-4-8-3-1-5-9(7-8)10-12/h1,3,5,7,11H,2,4,6H2
InChIKeyPDSJFDCSHCXXML-UHFFFAOYSA-N
XLogP2.01
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(3-nitrosophenyl)ethanamine
CID 143527748
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
3-(4-hydroxybutyl)phenol
CID 19991537
2-[3-(2-hydroxyethyl)phenyl]guanidine
CID 18516973
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
3-[6-(3-hydroxypropyl)naphthalen-2-yl]propan-1-ol
CID 19907378
N-[3-(3-hydroxypropyl)phenyl]-N-methylmethanesulfonamide
CID 117360657
2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
CID 90079550

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrosophenyl)propan-1-ol?
The IUPAC name of 3-(3-nitrosophenyl)propan-1-ol (CID 89053704) is 3-(3-nitrosophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-nitrosophenyl)propan-1-ol?
The canonical SMILES for 3-(3-nitrosophenyl)propan-1-ol is O=Nc1cccc(CCCO)c1.
What is the InChIKey of 3-(3-nitrosophenyl)propan-1-ol?
The InChIKey is PDSJFDCSHCXXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-2-4-8-3-1-5-9(7-8)10-12/h1,3,5,7,11H,2,4,6H2.
What are the key properties of 3-(3-nitrosophenyl)propan-1-ol?
3-(3-nitrosophenyl)propan-1-ol has a molecular weight of 165.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrosophenyl)propan-1-ol is sourced from PubChem (CID 89053704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).