[2-amino-5-(4-isocyanophenoxy)phenyl]methanol

C14H12N2O2 — CID 156625805

IUPAC[2-amino-5-(4-isocyanophenoxy)phenyl]methanol
SMILES[C-]#[N+]c1ccc(Oc2ccc(N)c(CO)c2)cc1
InChIInChI=1S/C14H12N2O2/c1-16-11-2-4-12(5-3-11)18-13-6-7-14(15)10(8-13)9-17/h2-8,17H,9,15H2
InChIKeyFZBITOTVBWFKCT-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.10
Rot. Bonds3

About [2-amino-5-(4-isocyanophenoxy)phenyl]methanol

[2-amino-5-(4-isocyanophenoxy)phenyl]methanol (PubChem CID 156625805) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is [2-amino-5-(4-isocyanophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(4-isocyanophenoxy)phenyl]methanol
PubChem CID156625805
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name[2-amino-5-(4-isocyanophenoxy)phenyl]methanol
SMILES[C-]#[N+]c1ccc(Oc2ccc(N)c(CO)c2)cc1
InChIInChI=1S/C14H12N2O2/c1-16-11-2-4-12(5-3-11)18-13-6-7-14(15)10(8-13)9-17/h2-8,17H,9,15H2
InChIKeyFZBITOTVBWFKCT-UHFFFAOYSA-N
XLogP3.10
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-isocyanophenoxy)naphthalene
CID 58104528
4-[4-[4-(4-amino-3-ethylphenoxy)phenyl]sulfanylphenoxy]-2-ethylaniline
CID 139713087
4-(4-carbamoylphenoxy)-2-(hydroxymethyl)benzoic acid
CID 169219514
5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol;[5-(4-isocyanophenoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 159935067
[2-iodo-5-(4-isocyanophenoxy)phenyl]methyl dipropan-2-yl borate
CID 59420330
2-[2-amino-5-(4-chlorophenoxy)phenyl]acetonitrile
CID 102624819
2-[4-(4-isocyanophenoxy)phenyl]cyclopropan-1-amine
CID 59628025
[2-methyl-4-(4-methylphenoxy)phenyl]methanol
CID 62134213
4-[3-(hydroxymethyl)-4-iodophenoxy]benzonitrile
CID 165180431
[2-methyl-4-(4-methylsulfanylphenoxy)phenyl]methanol
CID 63649361
[2-(chloromethyl)-4-(4-isocyanophenoxy)phenyl]boronic acid;1-hydroxy-5-(4-isocyanophenoxy)-3H-2,1-benzoxaborole
CID 158117231
3-[4-(4-isocyanophenyl)phenoxy]propan-1-ol
CID 58085326

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-isocyanophenoxy)phenyl]methanol?
The IUPAC name of [2-amino-5-(4-isocyanophenoxy)phenyl]methanol (CID 156625805) is [2-amino-5-(4-isocyanophenoxy)phenyl]methanol.
What is the SMILES notation for [2-amino-5-(4-isocyanophenoxy)phenyl]methanol?
The canonical SMILES for [2-amino-5-(4-isocyanophenoxy)phenyl]methanol is [C-]#[N+]c1ccc(Oc2ccc(N)c(CO)c2)cc1.
What is the InChIKey of [2-amino-5-(4-isocyanophenoxy)phenyl]methanol?
The InChIKey is FZBITOTVBWFKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16-11-2-4-12(5-3-11)18-13-6-7-14(15)10(8-13)9-17/h2-8,17H,9,15H2.
What are the key properties of [2-amino-5-(4-isocyanophenoxy)phenyl]methanol?
[2-amino-5-(4-isocyanophenoxy)phenyl]methanol has a molecular weight of 240.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(4-isocyanophenoxy)phenyl]methanol is sourced from PubChem (CID 156625805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).