(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol

C16H13BrO — CID 11289604

IUPAC(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
SMILESC[C@@](O)(C#Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H13BrO/c1-16(18,14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-10,18H,1H3/t16-/m1/s1
InChIKeyYKAHHMJSOSSWBX-MRXNPFEDSA-N
MW301.18 g/mol
LogP3.71
Rot. Bonds1

About (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol

(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol (PubChem CID 11289604) has the molecular formula C16H13BrO and a molecular weight of 301.18 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
PubChem CID11289604
Molecular FormulaC16H13BrO
Molecular Weight301.18 g/mol
Exact Mass300.01
IUPAC Name(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol
SMILESC[C@@](O)(C#Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C16H13BrO/c1-16(18,14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-10,18H,1H3/t16-/m1/s1
InChIKeyYKAHHMJSOSSWBX-MRXNPFEDSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol?
The IUPAC name of (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol (CID 11289604) is (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol?
The canonical SMILES for (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol is C[C@@](O)(C#Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol?
The InChIKey is YKAHHMJSOSSWBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13BrO/c1-16(18,14-9-5-6-10-15(14)17)12-11-13-7-3-2-4-8-13/h2-10,18H,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol?
(2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol has a molecular weight of 301.18 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-4-phenylbut-3-yn-2-ol is sourced from PubChem (CID 11289604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).