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

C14H19BrO — CID 46217912

IUPAC(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
SMILESC=C[C@](C)(CC)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-5-13(3,6-2)14(4,16)11-7-9-12(15)10-8-11/h5,7-10,16H,1,6H2,2-4H3/t13-,14+/m1/s1
InChIKeyWZSVPYBYHZGQML-KGLIPLIRSA-N
MW283.21 g/mol
LogP4.26
Rot. Bonds4

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

(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol (PubChem CID 46217912) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
PubChem CID46217912
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
SMILESC=C[C@](C)(CC)[C@@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrO/c1-5-13(3,6-2)14(4,16)11-7-9-12(15)10-8-11/h5,7-10,16H,1,6H2,2-4H3/t13-,14+/m1/s1
InChIKeyWZSVPYBYHZGQML-KGLIPLIRSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
The IUPAC name of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol (CID 46217912) is (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol.
What is the SMILES notation for (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
The canonical SMILES for (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol is C=C[C@](C)(CC)[C@@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
The InChIKey is WZSVPYBYHZGQML-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H19BrO/c1-5-13(3,6-2)14(4,16)11-7-9-12(15)10-8-11/h5,7-10,16H,1,6H2,2-4H3/t13-,14+/m1/s1.
What are the key properties of (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol?
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol has a molecular weight of 283.21 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol is sourced from PubChem (CID 46217912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).