3-(3-nitrophenyl)prop-2-en-1-ol

C9H9NO3 — CID 53401716

IUPAC3-(3-nitrophenyl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1cccc(C=CCO)c1
InChIInChI=1S/C9H9NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,11H,6H2
InChIKeyDOYXRXMTMCVACB-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.60
Rot. Bonds3

About 3-(3-nitrophenyl)prop-2-en-1-ol

3-(3-nitrophenyl)prop-2-en-1-ol (PubChem CID 53401716) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-(3-nitrophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-nitrophenyl)prop-2-en-1-ol
PubChem CID53401716
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-(3-nitrophenyl)prop-2-en-1-ol
SMILESO=[N+]([O-])c1cccc(C=CCO)c1
InChIInChI=1S/C9H9NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,11H,6H2
InChIKeyDOYXRXMTMCVACB-UHFFFAOYSA-N
XLogP1.60
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.60
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-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
(E)-3-(3-nitrophenyl)prop-2-en-1-amine
CID 19966844
1-nitro-3-[(Z)-3-phenylprop-1-enyl]benzene
CID 56955352
1-hex-1-enyl-3-nitrobenzene
CID 54569294
3-(3-nitrophenyl)prop-2-enamide
CID 692292
3-(3-methyl-5-nitrophenyl)prop-2-en-1-ol
CID 169453704
(E)-3-(3-bromo-5-nitrophenyl)prop-2-en-1-ol
CID 91679783
N-[3-(3-nitrophenyl)prop-2-enyl]cyclopropanamine
CID 79347711
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
N-hydroxy-1-(3-nitrophenyl)methanimine oxide
CID 12527293
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
1-[(Z)-2-iodoprop-1-enyl]-3-nitrobenzene
CID 11822354

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)prop-2-en-1-ol?
The IUPAC name of 3-(3-nitrophenyl)prop-2-en-1-ol (CID 53401716) is 3-(3-nitrophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3-nitrophenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(3-nitrophenyl)prop-2-en-1-ol is O=[N+]([O-])c1cccc(C=CCO)c1.
What is the InChIKey of 3-(3-nitrophenyl)prop-2-en-1-ol?
The InChIKey is DOYXRXMTMCVACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,11H,6H2.
What are the key properties of 3-(3-nitrophenyl)prop-2-en-1-ol?
3-(3-nitrophenyl)prop-2-en-1-ol has a molecular weight of 179.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)prop-2-en-1-ol is sourced from PubChem (CID 53401716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).