2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol

C20H14Br2O2 — CID 90251029

IUPAC2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol
SMILESCOc1cccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C20H14Br2O2/c1-24-15-4-2-3-12(9-15)20(23)18-10-13(21)5-7-16(18)17-8-6-14(22)11-19(17)20/h2-11,23H,1H3
InChIKeyXRPOHDLUFTVBQH-UHFFFAOYSA-N
MW446.14 g/mol
LogP5.48
Rot. Bonds2

About 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol

2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol (PubChem CID 90251029) has the molecular formula C20H14Br2O2 and a molecular weight of 446.14 g/mol. Its IUPAC name is 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol
PubChem CID90251029
Molecular FormulaC20H14Br2O2
Molecular Weight446.14 g/mol
Exact Mass443.94
IUPAC Name2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol
SMILESCOc1cccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1
InChIInChI=1S/C20H14Br2O2/c1-24-15-4-2-3-12(9-15)20(23)18-10-13(21)5-7-16(18)17-8-6-14(22)11-19(17)20/h2-11,23H,1H3
InChIKeyXRPOHDLUFTVBQH-UHFFFAOYSA-N
XLogP5.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.14
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-dibromo-9-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-ol
CID 122388776
2,7-dibromo-9,9-bis(3-methylphenyl)fluorene
CID 58371139
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2,7-dibromo-9,10-dimethoxy-9,10-dimethylphenanthrene
CID 23150365
2,7-dibromo-9-methyl-9-(3-methylphenyl)fluorene
CID 129015680
20'-bromo-5'-methoxyspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 122413356
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
CID 22560825
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
CID 58556168
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
CID 121482268

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol?
The IUPAC name of 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol (CID 90251029) is 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol.
What is the SMILES notation for 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol?
The canonical SMILES for 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol is COc1cccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.
What is the InChIKey of 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol?
The InChIKey is XRPOHDLUFTVBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2O2/c1-24-15-4-2-3-12(9-15)20(23)18-10-13(21)5-7-16(18)17-8-6-14(22)11-19(17)20/h2-11,23H,1H3.
What are the key properties of 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol?
2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol has a molecular weight of 446.14 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(3-methoxyphenyl)fluoren-9-ol is sourced from PubChem (CID 90251029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).