[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol

C14H10F3NO4 — CID 142704333

IUPAC[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1cccc(-c2cc(CO)ccc2OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-13-5-4-9(8-19)6-12(13)10-2-1-3-11(7-10)18(20)21/h1-7,19H,8H2
InChIKeyXHZIEFUKQFRFKS-UHFFFAOYSA-N
MW313.23 g/mol
LogP3.65
Rot. Bonds4

About [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol

[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol (PubChem CID 142704333) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol
PubChem CID142704333
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1cccc(-c2cc(CO)ccc2OC(F)(F)F)c1
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)22-13-5-4-9(8-19)6-12(13)10-2-1-3-11(7-10)18(20)21/h1-7,19H,8H2
InChIKeyXHZIEFUKQFRFKS-UHFFFAOYSA-N
XLogP3.65
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol (CID 142704333) is [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol is O=[N+]([O-])c1cccc(-c2cc(CO)ccc2OC(F)(F)F)c1.
What is the InChIKey of [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is XHZIEFUKQFRFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)22-13-5-4-9(8-19)6-12(13)10-2-1-3-11(7-10)18(20)21/h1-7,19H,8H2.
What are the key properties of [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol?
[3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 313.23 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-nitrophenyl)-4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 142704333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).