4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol

C25H16Br2O2 — CID 22020076

IUPAC4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H16Br2O2/c26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16/h1-14,28-29H
InChIKeyBUZINZLHCBTJAK-UHFFFAOYSA-N
MW508.21 g/mol
LogP6.99
Rot. Bonds2

About 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol

4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol (PubChem CID 22020076) has the molecular formula C25H16Br2O2 and a molecular weight of 508.21 g/mol. Its IUPAC name is 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
PubChem CID22020076
Molecular FormulaC25H16Br2O2
Molecular Weight508.21 g/mol
Exact Mass505.95
IUPAC Name4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
SMILESOc1ccc(C2(c3ccc(O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C25H16Br2O2/c26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16/h1-14,28-29H
InChIKeyBUZINZLHCBTJAK-UHFFFAOYSA-N
XLogP6.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.21
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol (CID 22020076) is 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol is Oc1ccc(C2(c3ccc(O)cc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
The InChIKey is BUZINZLHCBTJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Br2O2/c26-17-5-11-21-22-12-6-18(27)14-24(22)25(23(21)13-17,15-1-7-19(28)8-2-15)16-3-9-20(29)10-4-16/h1-14,28-29H.
What are the key properties of 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol?
4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol has a molecular weight of 508.21 g/mol, XLogP of 6.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,7-dibromo-9-(4-hydroxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 22020076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).