(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone

C24H19BrO4 — CID 139223402

IUPAC(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(C(=O)c2cccc3c2CCCC3)c1)c1cc(Br)ccc1O
InChIInChI=1S/C24H19BrO4/c25-16-9-11-22(27)20(13-16)23(28)15-8-10-21(26)19(12-15)24(29)18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-13,26-27H,1-2,4,6H2
InChIKeyUMXGCCMGCIXNMT-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.20
Rot. Bonds4

About (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone

(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone (PubChem CID 139223402) has the molecular formula C24H19BrO4 and a molecular weight of 451.32 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
PubChem CID139223402
Molecular FormulaC24H19BrO4
Molecular Weight451.32 g/mol
Exact Mass450.05
IUPAC Name(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(O)c(C(=O)c2cccc3c2CCCC3)c1)c1cc(Br)ccc1O
InChIInChI=1S/C24H19BrO4/c25-16-9-11-22(27)20(13-16)23(28)15-8-10-21(26)19(12-15)24(29)18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-13,26-27H,1-2,4,6H2
InChIKeyUMXGCCMGCIXNMT-UHFFFAOYSA-N
XLogP5.20
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone with MolForge

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Related Compounds

(5-chloro-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone
CID 139223403
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 7786303
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
CID 58883559
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-bromo-2-hydroxyphenyl)methanone
CID 107730011
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
2,2-dibromo-1-(2,3-dihydro-1H-inden-4-yl)ethanone
CID 87520921
1-(5,6,7,8-tetrahydronaphthalen-1-yl)propan-1-one
CID 14994244
dimethyl 5-(5-bromo-2-hydroxybenzoyl)benzene-1,3-dicarboxylate
CID 142741692
(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
4-(4-bromobenzoyl)-2,3-dihydroinden-1-one
CID 13193100

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone (CID 139223402) is (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone is O=C(c1ccc(O)c(C(=O)c2cccc3c2CCCC3)c1)c1cc(Br)ccc1O.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
The InChIKey is UMXGCCMGCIXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrO4/c25-16-9-11-22(27)20(13-16)23(28)15-8-10-21(26)19(12-15)24(29)18-7-3-5-14-4-1-2-6-17(14)18/h3,5,7-13,26-27H,1-2,4,6H2.
What are the key properties of (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone?
(5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone has a molecular weight of 451.32 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-[4-hydroxy-3-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 139223402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).