1-amino-4-phenylcyclohexa-2,4-dien-1-ol

C12H13NO — CID 69193415

IUPAC1-amino-4-phenylcyclohexa-2,4-dien-1-ol
SMILESNC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C12H13NO/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,14H,9,13H2
InChIKeyHLCMFTOVJLJMPG-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.68
Rot. Bonds1

About 1-amino-4-phenylcyclohexa-2,4-dien-1-ol

1-amino-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 69193415) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-amino-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-amino-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID69193415
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-amino-4-phenylcyclohexa-2,4-dien-1-ol
SMILESNC1(O)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C12H13NO/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,14H,9,13H2
InChIKeyHLCMFTOVJLJMPG-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-amino-4-phenylcyclohexa-2,4-dien-1-ol (CID 69193415) is 1-amino-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-amino-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-amino-4-phenylcyclohexa-2,4-dien-1-ol is NC1(O)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-amino-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is HLCMFTOVJLJMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c13-12(14)8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,14H,9,13H2.
What are the key properties of 1-amino-4-phenylcyclohexa-2,4-dien-1-ol?
1-amino-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 187.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 69193415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).