4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol

C19H12FNO — CID 22899365

IUPAC4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(O)cc3)cc2F)cc1
InChIInChI=1S/C19H12FNO/c1-21-16-7-2-14(3-8-16)18-11-6-15(12-19(18)20)13-4-9-17(22)10-5-13/h2-12,22H
InChIKeyCLFNPJLVSMQPBA-UHFFFAOYSA-N
MW289.31 g/mol
LogP5.42
Rot. Bonds2

About 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol

4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol (PubChem CID 22899365) has the molecular formula C19H12FNO and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol
PubChem CID22899365
Molecular FormulaC19H12FNO
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC Name4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3ccc(O)cc3)cc2F)cc1
InChIInChI=1S/C19H12FNO/c1-21-16-7-2-14(3-8-16)18-11-6-15(12-19(18)20)13-4-9-17(22)10-5-13/h2-12,22H
InChIKeyCLFNPJLVSMQPBA-UHFFFAOYSA-N
XLogP5.42
TPSA24.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.31
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
CID 175346756
4-(4-chloro-2-fluorophenyl)phenol
CID 83128689
2-bromo-1-fluoro-4-(4-isocyanophenyl)benzene
CID 123561617
6-[4-(4-chlorophenyl)-3-fluorophenyl]naphthalen-2-ol
CID 129226037
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
[4-[2-fluoro-4-(4-hydroxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 139541987
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
CID 156721418
CID 156721418
1-O-[4-(4-cyanophenyl)-3-fluorophenyl] 3-O-[3-fluoro-4-(4-isocyanophenyl)phenyl] propanedioate
CID 149172921
4-[3-(4-hydroxyphenyl)-4-sulfanylphenyl]phenol
CID 141112604
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol?
The IUPAC name of 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol (CID 22899365) is 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol.
What is the SMILES notation for 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol?
The canonical SMILES for 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol is [C-]#[N+]c1ccc(-c2ccc(-c3ccc(O)cc3)cc2F)cc1.
What is the InChIKey of 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol?
The InChIKey is CLFNPJLVSMQPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO/c1-21-16-7-2-14(3-8-16)18-11-6-15(12-19(18)20)13-4-9-17(22)10-5-13/h2-12,22H.
What are the key properties of 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol?
4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol has a molecular weight of 289.31 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-isocyanophenyl)phenyl]phenol is sourced from PubChem (CID 22899365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).