9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol

C25H19FO — CID 91320788

IUPAC9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol
SMILESCC1(C)c2cc(-c3ccc(F)cc3)ccc2-c2c1cc(O)c1ccccc21
InChIInChI=1S/C25H19FO/c1-25(2)21-13-16(15-7-10-17(26)11-8-15)9-12-20(21)24-19-6-4-3-5-18(19)23(27)14-22(24)25/h3-14,27H,1-2H3
InChIKeyMOTAZSYANAVFIN-UHFFFAOYSA-N
MW354.42 g/mol
LogP6.66
Rot. Bonds1

About 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol

9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol (PubChem CID 91320788) has the molecular formula C25H19FO and a molecular weight of 354.42 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol
PubChem CID91320788
Molecular FormulaC25H19FO
Molecular Weight354.42 g/mol
Exact Mass354.14
IUPAC Name9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol
SMILESCC1(C)c2cc(-c3ccc(F)cc3)ccc2-c2c1cc(O)c1ccccc21
InChIInChI=1S/C25H19FO/c1-25(2)21-13-16(15-7-10-17(26)11-8-15)9-12-20(21)24-19-6-4-3-5-18(19)23(27)14-22(24)25/h3-14,27H,1-2H3
InChIKeyMOTAZSYANAVFIN-UHFFFAOYSA-N
XLogP6.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.42
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol?
The IUPAC name of 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol (CID 91320788) is 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol?
The canonical SMILES for 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol is CC1(C)c2cc(-c3ccc(F)cc3)ccc2-c2c1cc(O)c1ccccc21.
What is the InChIKey of 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol?
The InChIKey is MOTAZSYANAVFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FO/c1-25(2)21-13-16(15-7-10-17(26)11-8-15)9-12-20(21)24-19-6-4-3-5-18(19)23(27)14-22(24)25/h3-14,27H,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol?
9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol has a molecular weight of 354.42 g/mol, XLogP of 6.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-7,7-dimethylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 91320788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).