3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol

C14H12F2N2O3 — CID 153368055

IUPAC3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol
SMILESCOc1ccc(/N=N/c2c(F)cc(O)cc2F)c(CO)c1
InChIInChI=1S/C14H12F2N2O3/c1-21-10-2-3-13(8(4-10)7-19)17-18-14-11(15)5-9(20)6-12(14)16/h2-6,19-20H,7H2,1H3/b18-17+
InChIKeyCILABOCCOSHQDL-ISLYRVAYSA-N
MW294.26 g/mol
LogP3.59
Rot. Bonds4

About 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol

3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol (PubChem CID 153368055) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol.

Molecular Properties

Compound Name3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol
PubChem CID153368055
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol
SMILESCOc1ccc(/N=N/c2c(F)cc(O)cc2F)c(CO)c1
InChIInChI=1S/C14H12F2N2O3/c1-21-10-2-3-13(8(4-10)7-19)17-18-14-11(15)5-9(20)6-12(14)16/h2-6,19-20H,7H2,1H3/b18-17+
InChIKeyCILABOCCOSHQDL-ISLYRVAYSA-N
XLogP3.59
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.59
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'}

Analyze 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-[(2-fluoro-4-methoxyphenyl)diazenyl]-5-(hydroxymethyl)phenol
CID 176556613
(2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)diazene
CID 122401839
2,2,2-trifluoro-N-[2-(hydroxymethyl)-4-methoxyphenyl]ethanimidoyl chloride
CID 139228942
2-chloro-5-(hydroxymethyl)-4-[(4-methoxyphenyl)diazenyl]phenol
CID 176556614
[3,5-difluoro-4-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]methanol
CID 102877122
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
O-[(2-fluoro-5-methoxyphenyl)methyl]hydroxylamine
CID 83808208
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
2-fluoro-4-methoxyaniline
CID 3756383
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol?
The IUPAC name of 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol (CID 153368055) is 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol.
What is the SMILES notation for 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol?
The canonical SMILES for 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol is COc1ccc(/N=N/c2c(F)cc(O)cc2F)c(CO)c1.
What is the InChIKey of 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol?
The InChIKey is CILABOCCOSHQDL-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-21-10-2-3-13(8(4-10)7-19)17-18-14-11(15)5-9(20)6-12(14)16/h2-6,19-20H,7H2,1H3/b18-17+.
What are the key properties of 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol?
3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol has a molecular weight of 294.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[[2-(hydroxymethyl)-4-methoxyphenyl]diazenyl]phenol is sourced from PubChem (CID 153368055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).