(2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol

C17H17BrO — CID 71517789

IUPAC(2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol
SMILESC=C[C@H](c1ccccc1)[C@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrO/c1-3-16(13-7-5-4-6-8-13)17(2,19)14-9-11-15(18)12-10-14/h3-12,16,19H,1H2,2H3/t16-,17-/m1/s1
InChIKeyFNUNZSBLNIEJQE-IAGOWNOFSA-N
MW317.23 g/mol
LogP4.63
Rot. Bonds4

About (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol

(2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol (PubChem CID 71517789) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol
PubChem CID71517789
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol
SMILESC=C[C@H](c1ccccc1)[C@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrO/c1-3-16(13-7-5-4-6-8-13)17(2,19)14-9-11-15(18)12-10-14/h3-12,16,19H,1H2,2H3/t16-,17-/m1/s1
InChIKeyFNUNZSBLNIEJQE-IAGOWNOFSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol?
The IUPAC name of (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol (CID 71517789) is (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol?
The canonical SMILES for (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol is C=C[C@H](c1ccccc1)[C@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol?
The InChIKey is FNUNZSBLNIEJQE-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H17BrO/c1-3-16(13-7-5-4-6-8-13)17(2,19)14-9-11-15(18)12-10-14/h3-12,16,19H,1H2,2H3/t16-,17-/m1/s1.
What are the key properties of (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol?
(2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol has a molecular weight of 317.23 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(4-bromophenyl)-3-phenylpent-4-en-2-ol is sourced from PubChem (CID 71517789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).