3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol

C14H12ClFN2O3 — CID 176556613

IUPAC3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol
SMILESCOc1ccc(/N=N/c2c(Cl)cc(O)cc2CO)c(F)c1
InChIInChI=1S/C14H12ClFN2O3/c1-21-10-2-3-13(12(16)6-10)17-18-14-8(7-19)4-9(20)5-11(14)15/h2-6,19-20H,7H2,1H3/b18-17+
InChIKeyVMYAXGXHNXXUIS-ISLYRVAYSA-N
MW310.71 g/mol
LogP4.10
Rot. Bonds4

About 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol

3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol (PubChem CID 176556613) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol
PubChem CID176556613
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol
SMILESCOc1ccc(/N=N/c2c(Cl)cc(O)cc2CO)c(F)c1
InChIInChI=1S/C14H12ClFN2O3/c1-21-10-2-3-13(12(16)6-10)17-18-14-8(7-19)4-9(20)5-11(14)15/h2-6,19-20H,7H2,1H3/b18-17+
InChIKeyVMYAXGXHNXXUIS-ISLYRVAYSA-N
XLogP4.10
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol
CID 153368055
(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene
CID 122401839
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride
CID 139228942
2-(2-chlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 61080545
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
1,4-dichloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzene
CID 102879421
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
1-(1-chloroethenyl)-2-fluoro-4-methoxybenzene
CID 126581039
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol?
The IUPAC name of 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol (CID 176556613) is 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol.
What is the SMILES notation for 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol?
The canonical SMILES for 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol is COc1ccc(/N=N/c2c(Cl)cc(O)cc2CO)c(F)c1.
What is the InChIKey of 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol?
The InChIKey is VMYAXGXHNXXUIS-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-21-10-2-3-13(12(16)6-10)17-18-14-8(7-19)4-9(20)5-11(14)15/h2-6,19-20H,7H2,1H3/b18-17+.
What are the key properties of 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol?
3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol has a molecular weight of 310.71 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol is sourced from PubChem (CID 176556613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).