(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol

C12H17NO — CID 54753064

IUPAC(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol
SMILESC[C@H](N)[C@H](O)/C=C/Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(13)12(14)9-5-8-11-6-3-2-4-7-11/h2-7,9-10,12,14H,8,13H2,1H3/b9-5+/t10-,12+/m0/s1
InChIKeyWHWNXZCTVURAJF-PUDJUEJWSA-N
MW191.27 g/mol
LogP1.49
Rot. Bonds4

About (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol

(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol (PubChem CID 54753064) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol
PubChem CID54753064
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol
SMILESC[C@H](N)[C@H](O)/C=C/Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(13)12(14)9-5-8-11-6-3-2-4-7-11/h2-7,9-10,12,14H,8,13H2,1H3/b9-5+/t10-,12+/m0/s1
InChIKeyWHWNXZCTVURAJF-PUDJUEJWSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-phenylpent-2-enylbenzene
CID 72731182
2-(2-methylpropyl)-5-phenylpent-3-enal
CID 173306473
propan-2-amine;prop-2-enylbenzene
CID 66809896
methyl N-[(E)-5-phenylpent-3-en-2-yl]carbamate
CID 101141877
4-(3-methylphenyl)-8-phenylocta-2,6-diene-1,5-diol
CID 70558351
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(Z,2S)-5-phenylpent-3-en-2-yl]carbamate
CID 11728129
but-2-enylbenzene;prop-1-ene
CID 159250462
4-phenylbut-2-ene-1-thiol
CID 54126363
but-2-enylbenzene;ethylbenzene
CID 162289742
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
4-(4-phenylbut-2-enyl)phenol
CID 66608492

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol?
The IUPAC name of (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol (CID 54753064) is (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol.
What is the SMILES notation for (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol?
The canonical SMILES for (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol is C[C@H](N)[C@H](O)/C=C/Cc1ccccc1.
What is the InChIKey of (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol?
The InChIKey is WHWNXZCTVURAJF-PUDJUEJWSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(13)12(14)9-5-8-11-6-3-2-4-7-11/h2-7,9-10,12,14H,8,13H2,1H3/b9-5+/t10-,12+/m0/s1.
What are the key properties of (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol?
(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol is sourced from PubChem (CID 54753064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).