9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate

C20H13BrO3 — CID 7786361

IUPAC9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate
SMILESO=C(OC1c2ccccc2-c2ccccc21)c1cc(Br)ccc1O
InChIInChI=1S/C20H13BrO3/c21-12-9-10-18(22)17(11-12)20(23)24-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-11,19,22H
InChIKeySMHPMYJIKWZZSO-UHFFFAOYSA-N
MW381.23 g/mol
LogP5.08
Rot. Bonds2

About 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate

9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate (PubChem CID 7786361) has the molecular formula C20H13BrO3 and a molecular weight of 381.23 g/mol. Its IUPAC name is 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate.

Molecular Properties

Compound Name9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate
PubChem CID7786361
Molecular FormulaC20H13BrO3
Molecular Weight381.23 g/mol
Exact Mass380.00
IUPAC Name9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate
SMILESO=C(OC1c2ccccc2-c2ccccc21)c1cc(Br)ccc1O
InChIInChI=1S/C20H13BrO3/c21-12-9-10-18(22)17(11-12)20(23)24-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-11,19,22H
InChIKeySMHPMYJIKWZZSO-UHFFFAOYSA-N
XLogP5.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-bromo-9H-fluoren-9-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 134119589
(3-bromophenyl)methyl 5-bromo-2-hydroxybenzoate
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9H-fluoren-9-yl 4-(hydroxymethyl)benzoate
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CID 7814199
(3-methylbenzoyl) 5-bromo-2-hydroxybenzoate
CID 88725286
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298
[(2R)-1-anilino-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate
CID 7365616
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[4-(benzenesulfonyl)phenyl]methyl 5-bromo-2-hydroxybenzoate
CID 1307574
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CID 8022063

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate?
The IUPAC name of 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate (CID 7786361) is 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate.
What is the SMILES notation for 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate?
The canonical SMILES for 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate is O=C(OC1c2ccccc2-c2ccccc21)c1cc(Br)ccc1O.
What is the InChIKey of 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate?
The InChIKey is SMHPMYJIKWZZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrO3/c21-12-9-10-18(22)17(11-12)20(23)24-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-11,19,22H.
What are the key properties of 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate?
9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate has a molecular weight of 381.23 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 5-bromo-2-hydroxybenzoate is sourced from PubChem (CID 7786361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).