(2S,4R)-1-phenyloct-7-ene-2,4-diol

C14H20O2 — CID 102019922

IUPAC(2S,4R)-1-phenyloct-7-ene-2,4-diol
SMILESC=CCC[C@@H](O)C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-9-13(15)11-14(16)10-12-7-5-4-6-8-12/h2,4-8,13-16H,1,3,9-11H2/t13-,14+/m1/s1
InChIKeyTZZXYKUFXJJYNL-KGLIPLIRSA-N
MW220.31 g/mol
LogP2.31
Rot. Bonds7

About (2S,4R)-1-phenyloct-7-ene-2,4-diol

(2S,4R)-1-phenyloct-7-ene-2,4-diol (PubChem CID 102019922) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S,4R)-1-phenyloct-7-ene-2,4-diol.

Molecular Properties

Compound Name(2S,4R)-1-phenyloct-7-ene-2,4-diol
PubChem CID102019922
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2S,4R)-1-phenyloct-7-ene-2,4-diol
SMILESC=CCC[C@@H](O)C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-3-9-13(15)11-14(16)10-12-7-5-4-6-8-12/h2,4-8,13-16H,1,3,9-11H2/t13-,14+/m1/s1
InChIKeyTZZXYKUFXJJYNL-KGLIPLIRSA-N
XLogP2.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-phenyloct-7-ene-2,4-diol 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

(2S)-1-phenylhex-5-en-2-ol
CID 102339258
1,6-diphenylhexane-2,5-diol
CID 15072586
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
(3-hydroxy-4-phenylbutyl)azanium chloride
CID 141211751
1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol
CID 69306301
(3R,5R)-8-phenyloct-1-ene-3,5-diol
CID 118075336
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
(3S,4S)-3-phenylocta-1,7-dien-4-ol
CID 101442843
(2S,3R)-4-amino-2-(dibenzylamino)-1-phenyloct-7-en-3-ol
CID 69017314
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol
CID 122388230

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-phenyloct-7-ene-2,4-diol?
The IUPAC name of (2S,4R)-1-phenyloct-7-ene-2,4-diol (CID 102019922) is (2S,4R)-1-phenyloct-7-ene-2,4-diol.
What is the SMILES notation for (2S,4R)-1-phenyloct-7-ene-2,4-diol?
The canonical SMILES for (2S,4R)-1-phenyloct-7-ene-2,4-diol is C=CCC[C@@H](O)C[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S,4R)-1-phenyloct-7-ene-2,4-diol?
The InChIKey is TZZXYKUFXJJYNL-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-9-13(15)11-14(16)10-12-7-5-4-6-8-12/h2,4-8,13-16H,1,3,9-11H2/t13-,14+/m1/s1.
What are the key properties of (2S,4R)-1-phenyloct-7-ene-2,4-diol?
(2S,4R)-1-phenyloct-7-ene-2,4-diol has a molecular weight of 220.31 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-phenyloct-7-ene-2,4-diol is sourced from PubChem (CID 102019922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).