[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol

C13H8ClF2NO4 — CID 63078114

IUPAC[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C13H8ClF2NO4/c14-8-1-2-11(17(19)20)12(5-8)21-13-9(15)3-7(6-18)4-10(13)16/h1-5,18H,6H2
InChIKeyVHGCWQQUTNUMRE-UHFFFAOYSA-N
MW315.66 g/mol
LogP3.81
Rot. Bonds4

About [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol

[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol (PubChem CID 63078114) has the molecular formula C13H8ClF2NO4 and a molecular weight of 315.66 g/mol. Its IUPAC name is [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol.

Molecular Properties

Compound Name[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
PubChem CID63078114
Molecular FormulaC13H8ClF2NO4
Molecular Weight315.66 g/mol
Exact Mass315.01
IUPAC Name[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Oc1c(F)cc(CO)cc1F
InChIInChI=1S/C13H8ClF2NO4/c14-8-1-2-11(17(19)20)12(5-8)21-13-9(15)3-7(6-18)4-10(13)16/h1-5,18H,6H2
InChIKeyVHGCWQQUTNUMRE-UHFFFAOYSA-N
XLogP3.81
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.66
LogP ≤ 53.81
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

4-(5-chloro-2-nitrophenoxy)-3,5-difluorobenzonitrile
CID 81287464
[3-chloro-4-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 81151308
[4-(2,4-dichlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077759
4-(bromomethyl)-1-(5-chloro-2-nitrophenoxy)-2-fluorobenzene
CID 107088334
[2-(5-chloro-2-nitrophenoxy)phenyl]methanol
CID 62304673
[4-(4,5-dichloro-2-nitrophenoxy)-3-fluorophenyl]methanol
CID 107500272
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-nitrophenyl]methanol
CID 114850111
[4-(2,5-dichlorophenoxy)-3-nitrophenyl]methanol
CID 28964082
[4-(3-chloro-2-fluorophenoxy)-3,5-difluorophenyl]methanol
CID 116689370
[4-chloro-2-(2-chloro-6-nitrophenoxy)phenyl]methanol
CID 107717309
[4-(2-chlorophenoxy)-3,5-difluorophenyl]methanol
CID 63077057
4-chloro-2-(5-chloro-2-nitrophenoxy)benzoic acid
CID 63082703

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol?
The IUPAC name of [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol (CID 63078114) is [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol.
What is the SMILES notation for [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol?
The canonical SMILES for [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol is O=[N+]([O-])c1ccc(Cl)cc1Oc1c(F)cc(CO)cc1F.
What is the InChIKey of [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol?
The InChIKey is VHGCWQQUTNUMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO4/c14-8-1-2-11(17(19)20)12(5-8)21-13-9(15)3-7(6-18)4-10(13)16/h1-5,18H,6H2.
What are the key properties of [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol?
[4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol has a molecular weight of 315.66 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-nitrophenoxy)-3,5-difluorophenyl]methanol is sourced from PubChem (CID 63078114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).