5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol

C19H16F2O — CID 90062373

IUPAC5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol
SMILESCc1cc(C2=CC=C(O)CC2F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H16F2O/c1-12-10-14(18-9-7-16(22)11-19(18)21)4-8-17(12)13-2-5-15(20)6-3-13/h2-10,19,22H,11H2,1H3
InChIKeyBGQDLMXLMMSGST-UHFFFAOYSA-N
MW298.33 g/mol
LogP5.37
Rot. Bonds2

About 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol

5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol (PubChem CID 90062373) has the molecular formula C19H16F2O and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol
PubChem CID90062373
Molecular FormulaC19H16F2O
Molecular Weight298.33 g/mol
Exact Mass298.12
IUPAC Name5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol
SMILESCc1cc(C2=CC=C(O)CC2F)ccc1-c1ccc(F)cc1
InChIInChI=1S/C19H16F2O/c1-12-10-14(18-9-7-16(22)11-19(18)21)4-8-17(12)13-2-5-15(20)6-3-13/h2-10,19,22H,11H2,1H3
InChIKeyBGQDLMXLMMSGST-UHFFFAOYSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol (CID 90062373) is 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol is Cc1cc(C2=CC=C(O)CC2F)ccc1-c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is BGQDLMXLMMSGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O/c1-12-10-14(18-9-7-16(22)11-19(18)21)4-8-17(12)13-2-5-15(20)6-3-13/h2-10,19,22H,11H2,1H3.
What are the key properties of 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol?
5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 298.33 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 90062373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).