1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol

C12H13NO — CID 19876171

IUPAC1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol
SMILESNc1ccc(C2(O)C=CC=CC2)cc1
InChIInChI=1S/C12H13NO/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h1-8,14H,9,13H2
InChIKeyKITBENRDILPWSD-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.97
Rot. Bonds1

About 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol

1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol (PubChem CID 19876171) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol
PubChem CID19876171
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol
SMILESNc1ccc(C2(O)C=CC=CC2)cc1
InChIInChI=1S/C12H13NO/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h1-8,14H,9,13H2
InChIKeyKITBENRDILPWSD-UHFFFAOYSA-N
XLogP1.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol (CID 19876171) is 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol is Nc1ccc(C2(O)C=CC=CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is KITBENRDILPWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h1-8,14H,9,13H2.
What are the key properties of 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol?
1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 187.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 19876171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).