4-[(Z)-2-nitroprop-1-enyl]phenol

C9H9NO3 — CID 5371883

IUPAC4-[(Z)-2-nitroprop-1-enyl]phenol
SMILESC/C(=C/c1ccc(O)cc1)[N+](=O)[O-]
InChIInChI=1S/C9H9NO3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6,11H,1H3/b7-6-
InChIKeyPWVYGCHRAHNBFI-SREVYHEPSA-N
MW179.17 g/mol
LogP2.03
Rot. Bonds2

About 4-[(Z)-2-nitroprop-1-enyl]phenol

4-[(Z)-2-nitroprop-1-enyl]phenol (PubChem CID 5371883) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-[(Z)-2-nitroprop-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-nitroprop-1-enyl]phenol
PubChem CID5371883
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-[(Z)-2-nitroprop-1-enyl]phenol
SMILESC/C(=C/c1ccc(O)cc1)[N+](=O)[O-]
InChIInChI=1S/C9H9NO3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6,11H,1H3/b7-6-
InChIKeyPWVYGCHRAHNBFI-SREVYHEPSA-N
XLogP2.03
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.03
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

2-nitroprop-1-enylbenzene
CID 12807
1-(methoxymethyl)-4-(2-nitroprop-1-enyl)benzene
CID 77098903
N-[4-(2-nitroprop-1-enyl)phenyl]acetamide
CID 583179
2-[(E)-2-nitroprop-1-enyl]benzene-1,4-diol
CID 24988512
1-(2-nitroprop-1-enyl)-4-(trifluoromethoxy)benzene
CID 53396123
[4-[(E)-2-nitroprop-1-enyl]phenyl] ethaneperoxoate
CID 23199922
2-[4-(2-nitroprop-1-enyl)phenyl]sulfanylethanol
CID 70529156
1-[4-[(E)-2-nitroprop-1-enyl]phenyl]piperidine
CID 12547493
1-fluoro-2-methyl-4-(2-nitroprop-1-enyl)benzene
CID 76936147
1-[(E)-2-nitroprop-1-enyl]-4-pentoxybenzene
CID 94776304
2-chloro-1-fluoro-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 81165656
1,3-dichloro-5-(2-nitroprop-1-enyl)benzene
CID 76913009

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-nitroprop-1-enyl]phenol?
The IUPAC name of 4-[(Z)-2-nitroprop-1-enyl]phenol (CID 5371883) is 4-[(Z)-2-nitroprop-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-2-nitroprop-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-2-nitroprop-1-enyl]phenol is C/C(=C/c1ccc(O)cc1)[N+](=O)[O-].
What is the InChIKey of 4-[(Z)-2-nitroprop-1-enyl]phenol?
The InChIKey is PWVYGCHRAHNBFI-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9NO3/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-6,11H,1H3/b7-6-.
What are the key properties of 4-[(Z)-2-nitroprop-1-enyl]phenol?
4-[(Z)-2-nitroprop-1-enyl]phenol has a molecular weight of 179.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-nitroprop-1-enyl]phenol is sourced from PubChem (CID 5371883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).