2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol

C20H14BrFO — CID 169286329

IUPAC2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol
SMILESCc1cc(C2(O)c3ccccc3-c3ccc(Br)cc32)ccc1F
InChIInChI=1S/C20H14BrFO/c1-12-10-13(6-9-19(12)22)20(23)17-5-3-2-4-15(17)16-8-7-14(21)11-18(16)20/h2-11,23H,1H3
InChIKeyVCRCXLSVVLFKLE-UHFFFAOYSA-N
MW369.23 g/mol
LogP5.16
Rot. Bonds1

About 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol

2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol (PubChem CID 169286329) has the molecular formula C20H14BrFO and a molecular weight of 369.23 g/mol. Its IUPAC name is 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol
PubChem CID169286329
Molecular FormulaC20H14BrFO
Molecular Weight369.23 g/mol
Exact Mass368.02
IUPAC Name2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol
SMILESCc1cc(C2(O)c3ccccc3-c3ccc(Br)cc32)ccc1F
InChIInChI=1S/C20H14BrFO/c1-12-10-13(6-9-19(12)22)20(23)17-5-3-2-4-15(17)16-8-7-14(21)11-18(16)20/h2-11,23H,1H3
InChIKeyVCRCXLSVVLFKLE-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol?
The IUPAC name of 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol (CID 169286329) is 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol.
What is the SMILES notation for 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol?
The canonical SMILES for 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol is Cc1cc(C2(O)c3ccccc3-c3ccc(Br)cc32)ccc1F.
What is the InChIKey of 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol?
The InChIKey is VCRCXLSVVLFKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFO/c1-12-10-13(6-9-19(12)22)20(23)17-5-3-2-4-15(17)16-8-7-14(21)11-18(16)20/h2-11,23H,1H3.
What are the key properties of 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol?
2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol has a molecular weight of 369.23 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(4-fluoro-3-methylphenyl)fluoren-9-ol is sourced from PubChem (CID 169286329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).