2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol

C15H14FNO3 — CID 71501345

IUPAC2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol
SMILESO=[N+]([O-])CC(Cc1ccccc1F)c1ccccc1O
InChIInChI=1S/C15H14FNO3/c16-14-7-3-1-5-11(14)9-12(10-17(19)20)13-6-2-4-8-15(13)18/h1-8,12,18H,9-10H2
InChIKeyPFNWYYIWZXJDHU-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.13
Rot. Bonds5

About 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol

2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol (PubChem CID 71501345) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol
PubChem CID71501345
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol
SMILESO=[N+]([O-])CC(Cc1ccccc1F)c1ccccc1O
InChIInChI=1S/C15H14FNO3/c16-14-7-3-1-5-11(14)9-12(10-17(19)20)13-6-2-4-8-15(13)18/h1-8,12,18H,9-10H2
InChIKeyPFNWYYIWZXJDHU-UHFFFAOYSA-N
XLogP3.13
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.13
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-2-(4-hydroxyphenyl)ethane
CID 3082465
3-(2-Nitroethyl)phenol
CID 50904892
Dinitrooctylphenol
CID 3017387
2-(2-Nitroethyl)phenol
CID 13357009
Dinitrobutyl phenol
CID 54400588
Dinitropropylphenol
CID 170965
4-(1,1,1-Trifluoro-3-nitropropan-2-yl)phenol
CID 12078322
1-(2-Nitroethyl)-2-naphthol
CID 13357014
4-(4-Nitrobutyl)phenol
CID 13718463
2-(8-Nitrooctyl)phenol
CID 70507312
4-(1,3-Dinitropropan-2-yl)phenol
CID 71339377
Dinitrocyclohexophenol
CID 87305758

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol?
The IUPAC name of 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol (CID 71501345) is 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol is O=[N+]([O-])CC(Cc1ccccc1F)c1ccccc1O.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol?
The InChIKey is PFNWYYIWZXJDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c16-14-7-3-1-5-11(14)9-12(10-17(19)20)13-6-2-4-8-15(13)18/h1-8,12,18H,9-10H2.
What are the key properties of 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol?
2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol has a molecular weight of 275.28 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3-nitropropan-2-yl]phenol is sourced from PubChem (CID 71501345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).