[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol

C14H8Cl2F3NO4 — CID 126123923

IUPAC[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C14H8Cl2F3NO4/c15-9-3-7(6-21)13(10(16)5-9)24-12-2-1-8(14(17,18)19)4-11(12)20(22)23/h1-5,21H,6H2
InChIKeyOFBVUUQOCVLSAT-UHFFFAOYSA-N
MW382.12 g/mol
LogP5.20
Rot. Bonds4

About [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol

[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 126123923) has the molecular formula C14H8Cl2F3NO4 and a molecular weight of 382.12 g/mol. Its IUPAC name is [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID126123923
Molecular FormulaC14H8Cl2F3NO4
Molecular Weight382.12 g/mol
Exact Mass380.98
IUPAC Name[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C14H8Cl2F3NO4/c15-9-3-7(6-21)13(10(16)5-9)24-12-2-1-8(14(17,18)19)4-11(12)20(22)23/h1-5,21H,6H2
InChIKeyOFBVUUQOCVLSAT-UHFFFAOYSA-N
XLogP5.20
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.12
LogP ≤ 55.20
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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Related Compounds

3,5-dichloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 4770149
(NZ)-N-[[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
CID 126083188
5-[[3,5-dichloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126083873
5-[[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-diphenyl-1,3-diazinane-2,4,6-trione
CID 126094926
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
2-chloro-3-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 2779612
1-(5-fluoro-2-nitrophenoxy)-2-nitro-4-(trifluoromethyl)benzene
CID 9311790
2-[9-[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 126099369
1,3,5-trichloro-2-[2-nitro-5-(trifluoromethyl)phenyl]benzene
CID 134621035
2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 578334
(5E)-5-[[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 126087797
1-[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126216100

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol (CID 126123923) is [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol is O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is OFBVUUQOCVLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO4/c15-9-3-7(6-21)13(10(16)5-9)24-12-2-1-8(14(17,18)19)4-11(12)20(22)23/h1-5,21H,6H2.
What are the key properties of [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol?
[3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 382.12 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 126123923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).