[(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone

C30H24Br2O2 — CID 101109663

IUPAC[(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1[C@@H](c2cccc(Br)c2)[C@H](c2cccc(Br)c2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C30H24Br2O2/c31-24-15-7-11-21(17-24)26-19-30(34,23-13-5-2-6-14-23)28(29(33)20-9-3-1-4-10-20)27(26)22-12-8-16-25(32)18-22/h1-18,26-28,34H,19H2/t26-,27-,28-,30+/m0/s1
InChIKeyVHQDAXXMJQJPJH-VNDOHOEKSA-N
MW576.33 g/mol
LogP7.87
Rot. Bonds5

About [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone

[(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone (PubChem CID 101109663) has the molecular formula C30H24Br2O2 and a molecular weight of 576.33 g/mol. Its IUPAC name is [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
PubChem CID101109663
Molecular FormulaC30H24Br2O2
Molecular Weight576.33 g/mol
Exact Mass574.01
IUPAC Name[(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1[C@@H](c2cccc(Br)c2)[C@H](c2cccc(Br)c2)C[C@@]1(O)c1ccccc1
InChIInChI=1S/C30H24Br2O2/c31-24-15-7-11-21(17-24)26-19-30(34,23-13-5-2-6-14-23)28(29(33)20-9-3-1-4-10-20)27(26)22-12-8-16-25(32)18-22/h1-18,26-28,34H,19H2/t26-,27-,28-,30+/m0/s1
InChIKeyVHQDAXXMJQJPJH-VNDOHOEKSA-N
XLogP7.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.33
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone with MolForge

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Related Compounds

(Z,2Z)-1-(2-bromophenyl)-2-[hydroxy(phenyl)methylidene]-3,4-diphenylbut-3-en-1-one
CID 139192893
(4-Fluorophenyl)-[2-(4-fluorophenyl)-2-hydroxy-4,5-diphenylcyclopentyl]methanone
CID 25229327
[(1S,2R,4S,5R)-4,5-bis(4-fluorophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone
CID 60199878
3-(4-Bromophenyl)-2-fluoro-3-hydroxy-1,3-diphenylpropan-1-one
CID 132850436
[(1S,2R,4S,5R)-2-hydroxy-4,5-bis(4-methylphenyl)-2-phenylcyclopentyl]-phenylmethanone
CID 11476370
[(1S,2R,4S,5R)-2-hydroxy-2-(4-methylphenyl)-4,5-diphenylcyclopentyl]-(4-methylphenyl)methanone
CID 15308935
(2-Hydroxy-2,3,5-triphenylcyclopentyl)-phenylmethanone
CID 57879803
4-(2,7-Dibromo-9-hydroxyfluoren-9-yl)benzaldehyde
CID 59245492
5-Bromo-2-[4-bromo-2-[hydroxy(diphenyl)methyl]phenyl]benzoic acid
CID 89728761
Methyl 5-bromo-2-[4-bromo-2-(9-hydroxyfluoren-9-yl)phenyl]benzoate
CID 117837191
(4S,5S)-2-(4-bromophenyl)-4-hydroxy-5-methyl-3,4-diphenylcyclopent-2-en-1-one
CID 142808682
(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone
CID 146319065

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone (CID 101109663) is [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc(Br)c2)[C@H](c2cccc(Br)c2)C[C@@]1(O)c1ccccc1.
What is the InChIKey of [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
The InChIKey is VHQDAXXMJQJPJH-VNDOHOEKSA-N. The full InChI is InChI=1S/C30H24Br2O2/c31-24-15-7-11-21(17-24)26-19-30(34,23-13-5-2-6-14-23)28(29(33)20-9-3-1-4-10-20)27(26)22-12-8-16-25(32)18-22/h1-18,26-28,34H,19H2/t26-,27-,28-,30+/m0/s1.
What are the key properties of [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone?
[(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone has a molecular weight of 576.33 g/mol, XLogP of 7.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R,5S)-4,5-bis(3-bromophenyl)-2-hydroxy-2-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 101109663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).