(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone

C28H24Br2O2 — CID 146319065

IUPAC(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cccc(Br)c1.O[C@H](Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO.C14H11BrO/c2*15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h1-8,10,14,16H,9H2;1-8,10H,9H2/t14-;/m1./s1
InChIKeyJQADIGSVVKPZJZ-PFEQFJNWSA-N
MW552.31 g/mol
LogP7.60
Rot. Bonds6

About (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone

(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone (PubChem CID 146319065) has the molecular formula C28H24Br2O2 and a molecular weight of 552.31 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone
PubChem CID146319065
Molecular FormulaC28H24Br2O2
Molecular Weight552.31 g/mol
Exact Mass550.01
IUPAC Name(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cccc(Br)c1.O[C@H](Cc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C14H13BrO.C14H11BrO/c2*15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h1-8,10,14,16H,9H2;1-8,10H,9H2/t14-;/m1./s1
InChIKeyJQADIGSVVKPZJZ-PFEQFJNWSA-N
XLogP7.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.31
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone?
The IUPAC name of (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone (CID 146319065) is (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone?
The canonical SMILES for (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone is O=C(Cc1ccccc1)c1cccc(Br)c1.O[C@H](Cc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone?
The InChIKey is JQADIGSVVKPZJZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H13BrO.C14H11BrO/c2*15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h1-8,10,14,16H,9H2;1-8,10H,9H2/t14-;/m1./s1.
What are the key properties of (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone?
(1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone has a molecular weight of 552.31 g/mol, XLogP of 7.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-2-phenylethanol;1-(3-bromophenyl)-2-phenylethanone is sourced from PubChem (CID 146319065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).