4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol

C12H11FO2 — CID 174312893

IUPAC4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2ccccc2F)=CC1
InChIInChI=1S/C12H11FO2/c13-11-4-2-1-3-10(11)9-5-7-12(14,15)8-6-9/h1-7,14-15H,8H2
InChIKeyRSSZGWILCMECLU-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.85
Rot. Bonds1

About 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol

4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol (PubChem CID 174312893) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol.

Molecular Properties

Compound Name4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol
PubChem CID174312893
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol
SMILESOC1(O)C=CC(c2ccccc2F)=CC1
InChIInChI=1S/C12H11FO2/c13-11-4-2-1-3-10(11)9-5-7-12(14,15)8-6-9/h1-7,14-15H,8H2
InChIKeyRSSZGWILCMECLU-UHFFFAOYSA-N
XLogP1.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.85
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 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol?
The IUPAC name of 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol (CID 174312893) is 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol.
What is the SMILES notation for 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol?
The canonical SMILES for 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol is OC1(O)C=CC(c2ccccc2F)=CC1.
What is the InChIKey of 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol?
The InChIKey is RSSZGWILCMECLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c13-11-4-2-1-3-10(11)9-5-7-12(14,15)8-6-9/h1-7,14-15H,8H2.
What are the key properties of 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol?
4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol has a molecular weight of 206.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)cyclohexa-2,4-diene-1,1-diol is sourced from PubChem (CID 174312893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).