2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol

C14H12Cl2N2O2 — CID 2832089

IUPAC2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol
SMILESNc1ccc(C(=C(Cl)Cl)c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C14H12Cl2N2O2/c15-14(16)13(7-1-3-9(17)11(19)5-7)8-2-4-10(18)12(20)6-8/h1-6,19-20H,17-18H2
InChIKeyGTWSAPHPEOWLRP-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.46
Rot. Bonds2

About 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol

2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol (PubChem CID 2832089) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol.

Molecular Properties

Compound Name2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol
PubChem CID2832089
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol
SMILESNc1ccc(C(=C(Cl)Cl)c2ccc(N)c(O)c2)cc1O
InChIInChI=1S/C14H12Cl2N2O2/c15-14(16)13(7-1-3-9(17)11(19)5-7)8-2-4-10(18)12(20)6-8/h1-6,19-20H,17-18H2
InChIKeyGTWSAPHPEOWLRP-UHFFFAOYSA-N
XLogP3.46
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol?
The IUPAC name of 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol (CID 2832089) is 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol.
What is the SMILES notation for 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol?
The canonical SMILES for 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol is Nc1ccc(C(=C(Cl)Cl)c2ccc(N)c(O)c2)cc1O.
What is the InChIKey of 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol?
The InChIKey is GTWSAPHPEOWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-14(16)13(7-1-3-9(17)11(19)5-7)8-2-4-10(18)12(20)6-8/h1-6,19-20H,17-18H2.
What are the key properties of 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol?
2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol has a molecular weight of 311.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(4-amino-3-hydroxyphenyl)-2,2-dichloroethenyl]phenol is sourced from PubChem (CID 2832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).