4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol

C13H14FNO — CID 71173362

IUPAC4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C(c2ccc(F)cc2)=C(O)C=CC1N
InChIInChI=1S/C13H14FNO/c1-8-11(15)6-7-12(16)13(8)9-2-4-10(14)5-3-9/h2-8,11,16H,15H2,1H3
InChIKeyKOVWVNJXOBDSRZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.63
Rot. Bonds1

About 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol

4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 71173362) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID71173362
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C(c2ccc(F)cc2)=C(O)C=CC1N
InChIInChI=1S/C13H14FNO/c1-8-11(15)6-7-12(16)13(8)9-2-4-10(14)5-3-9/h2-8,11,16H,15H2,1H3
InChIKeyKOVWVNJXOBDSRZ-UHFFFAOYSA-N
XLogP2.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol (CID 71173362) is 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol is CC1C(c2ccc(F)cc2)=C(O)C=CC1N.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is KOVWVNJXOBDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8-11(15)6-7-12(16)13(8)9-2-4-10(14)5-3-9/h2-8,11,16H,15H2,1H3.
What are the key properties of 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol?
4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 219.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 71173362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).