1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol

C23H20Br2O — CID 176586515

IUPAC1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CC1c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C23H20Br2O/c24-16-7-10-19-21(12-16)22-13-17(25)8-11-20(22)23(19)14-18(26)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-13,18,23,26H,6,9,14H2
InChIKeyZGXROTVMXAIMGH-UHFFFAOYSA-N
MW472.22 g/mol
LogP6.71
Rot. Bonds5

About 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol

1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol (PubChem CID 176586515) has the molecular formula C23H20Br2O and a molecular weight of 472.22 g/mol. Its IUPAC name is 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol
PubChem CID176586515
Molecular FormulaC23H20Br2O
Molecular Weight472.22 g/mol
Exact Mass469.99
IUPAC Name1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)CC1c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C23H20Br2O/c24-16-7-10-19-21(12-16)22-13-17(25)8-11-20(22)23(19)14-18(26)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-13,18,23,26H,6,9,14H2
InChIKeyZGXROTVMXAIMGH-UHFFFAOYSA-N
XLogP6.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.22
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol?
The IUPAC name of 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol (CID 176586515) is 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol.
What is the SMILES notation for 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol?
The canonical SMILES for 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol is OC(CCc1ccccc1)CC1c2ccc(Br)cc2-c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol?
The InChIKey is ZGXROTVMXAIMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2O/c24-16-7-10-19-21(12-16)22-13-17(25)8-11-20(22)23(19)14-18(26)9-6-15-4-2-1-3-5-15/h1-5,7-8,10-13,18,23,26H,6,9,14H2.
What are the key properties of 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol?
1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol has a molecular weight of 472.22 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromo-9H-fluoren-9-yl)-4-phenylbutan-2-ol is sourced from PubChem (CID 176586515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).