(3R,5R)-8-phenyloct-1-ene-3,5-diol

C14H20O2 — CID 118075336

IUPAC(3R,5R)-8-phenyloct-1-ene-3,5-diol
SMILESC=C[C@H](O)C[C@H](O)CCCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(15)11-14(16)10-6-9-12-7-4-3-5-8-12/h2-5,7-8,13-16H,1,6,9-11H2/t13-,14+/m0/s1
InChIKeyKPZFDESEELGDEK-UONOGXRCSA-N
MW220.31 g/mol
LogP2.31
Rot. Bonds7

About (3R,5R)-8-phenyloct-1-ene-3,5-diol

(3R,5R)-8-phenyloct-1-ene-3,5-diol (PubChem CID 118075336) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3R,5R)-8-phenyloct-1-ene-3,5-diol.

Molecular Properties

Compound Name(3R,5R)-8-phenyloct-1-ene-3,5-diol
PubChem CID118075336
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3R,5R)-8-phenyloct-1-ene-3,5-diol
SMILESC=C[C@H](O)C[C@H](O)CCCc1ccccc1
InChIInChI=1S/C14H20O2/c1-2-13(15)11-14(16)10-6-9-12-7-4-3-5-8-12/h2-5,7-8,13-16H,1,6,9-11H2/t13-,14+/m0/s1
InChIKeyKPZFDESEELGDEK-UONOGXRCSA-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'}

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Related Compounds

(2R)-5-phenylpentane-1,2-diol
CID 102483629
1-chloro-7-phenylheptan-4-ol
CID 54140253
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
2-methyl-7-phenylhept-2-en-4-ol
CID 71663928
(2S,4R)-1-phenyloct-7-ene-2,4-diol
CID 102019922
3-hydroxy-6-phenylhexanethioic S-acid
CID 87597942
(3S,5R)-nona-1,8-diene-3,5-diol
CID 132534592
2-methyl-6-phenylhex-1-en-3-ol
CID 23207508
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
4-methyl-7-phenylheptan-2-ol
CID 64718783
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-8-phenyloct-1-ene-3,5-diol?
The IUPAC name of (3R,5R)-8-phenyloct-1-ene-3,5-diol (CID 118075336) is (3R,5R)-8-phenyloct-1-ene-3,5-diol.
What is the SMILES notation for (3R,5R)-8-phenyloct-1-ene-3,5-diol?
The canonical SMILES for (3R,5R)-8-phenyloct-1-ene-3,5-diol is C=C[C@H](O)C[C@H](O)CCCc1ccccc1.
What is the InChIKey of (3R,5R)-8-phenyloct-1-ene-3,5-diol?
The InChIKey is KPZFDESEELGDEK-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13(15)11-14(16)10-6-9-12-7-4-3-5-8-12/h2-5,7-8,13-16H,1,6,9-11H2/t13-,14+/m0/s1.
What are the key properties of (3R,5R)-8-phenyloct-1-ene-3,5-diol?
(3R,5R)-8-phenyloct-1-ene-3,5-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 (3R,5R)-8-phenyloct-1-ene-3,5-diol is sourced from PubChem (CID 118075336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).