1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol

C19H13BrO2 — CID 172824285

IUPAC1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol
SMILESOc1ccc(-c2ccc(O)c3c2Cc2ccccc2-3)cc1Br
InChIInChI=1S/C19H13BrO2/c20-16-10-12(5-7-17(16)21)13-6-8-18(22)19-14-4-2-1-3-11(14)9-15(13)19/h1-8,10,21-22H,9H2
InChIKeyUQNMIOKMHSQOBP-UHFFFAOYSA-N
MW353.22 g/mol
LogP5.10
Rot. Bonds1

About 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol

1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol (PubChem CID 172824285) has the molecular formula C19H13BrO2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol
PubChem CID172824285
Molecular FormulaC19H13BrO2
Molecular Weight353.22 g/mol
Exact Mass352.01
IUPAC Name1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol
SMILESOc1ccc(-c2ccc(O)c3c2Cc2ccccc2-3)cc1Br
InChIInChI=1S/C19H13BrO2/c20-16-10-12(5-7-17(16)21)13-6-8-18(22)19-14-4-2-1-3-11(14)9-15(13)19/h1-8,10,21-22H,9H2
InChIKeyUQNMIOKMHSQOBP-UHFFFAOYSA-N
XLogP5.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.22
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 141135954
4-(2-bromo-9H-fluoren-1-yl)aniline
CID 175575602
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
2-amino-3-[4-[1-[4-(2-amino-3-hydroxyphenyl)phenyl]-9H-fluoren-2-yl]phenyl]phenol
CID 141049173
1,4-bis(4-ethylphenyl)-9H-fluorene
CID 101426750
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
2-[1-(2-hydroxyphenyl)-9H-fluoren-2-yl]phenol;phenol
CID 22221785
3-[1-(2,3-dihydroxyphenyl)-9H-fluoren-2-yl]benzene-1,2-diol
CID 141152647
2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
4-(9H-fluoren-1-yl)benzene-1,2,3-triol
CID 139434157
1-(3-bromo-4-fluorophenyl)-2-(trifluoromethylsulfinyl)-9H-fluorene
CID 152521089
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol?
The IUPAC name of 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol (CID 172824285) is 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol.
What is the SMILES notation for 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol?
The canonical SMILES for 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol is Oc1ccc(-c2ccc(O)c3c2Cc2ccccc2-3)cc1Br.
What is the InChIKey of 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol?
The InChIKey is UQNMIOKMHSQOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrO2/c20-16-10-12(5-7-17(16)21)13-6-8-18(22)19-14-4-2-1-3-11(14)9-15(13)19/h1-8,10,21-22H,9H2.
What are the key properties of 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol?
1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol has a molecular weight of 353.22 g/mol, XLogP of 5.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxyphenyl)-9H-fluoren-4-ol is sourced from PubChem (CID 172824285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).