[(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate

C15H18O4 — CID 100956985

IUPAC[(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate
SMILESC[C@H](C/C=C/C(=O)C[C@@H](O)c1ccccc1)OC=O
InChIInChI=1S/C15H18O4/c1-12(19-11-16)6-5-9-14(17)10-15(18)13-7-3-2-4-8-13/h2-5,7-9,11-12,15,18H,6,10H2,1H3/b9-5+/t12-,15-/m1/s1
InChIKeyHVDFZFWBUXORSP-VCRCAFKXSA-N
MW262.31 g/mol
LogP2.19
Rot. Bonds8

About [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate

[(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate (PubChem CID 100956985) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate.

Molecular Properties

Compound Name[(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate
PubChem CID100956985
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate
SMILESC[C@H](C/C=C/C(=O)C[C@@H](O)c1ccccc1)OC=O
InChIInChI=1S/C15H18O4/c1-12(19-11-16)6-5-9-14(17)10-15(18)13-7-3-2-4-8-13/h2-5,7-9,11-12,15,18H,6,10H2,1H3/b9-5+/t12-,15-/m1/s1
InChIKeyHVDFZFWBUXORSP-VCRCAFKXSA-N
XLogP2.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate 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

[(E,1S,7R)-7-hydroxy-5-oxo-1,7-diphenylhept-3-enyl] formate
CID 100956986
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
[(1R)-1-phenylethyl] formate
CID 76963066
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
6,7-dihydroxy-7-phenylhept-3-en-2-one
CID 142690833
methyl (Z)-5-hydroxy-3-methyl-5-phenylpent-2-enoate
CID 101073469
(E,1S)-1-hydroxy-1-(4-methoxyphenyl)oct-4-en-3-one
CID 102215273
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
(1R,4R)-1-hydroxy-4-methyl-1-phenylhexan-3-one
CID 131864107
4-hydroxy-1,1-dimethoxy-4-phenylbutan-2-one
CID 101201301
(1R,4S)-1,5-dihydroxy-4-methyl-1-phenylpentan-3-one
CID 139089580

Frequently Asked Questions

What is the IUPAC name of [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate?
The IUPAC name of [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate (CID 100956985) is [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate.
What is the SMILES notation for [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate?
The canonical SMILES for [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate is C[C@H](C/C=C/C(=O)C[C@@H](O)c1ccccc1)OC=O.
What is the InChIKey of [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate?
The InChIKey is HVDFZFWBUXORSP-VCRCAFKXSA-N. The full InChI is InChI=1S/C15H18O4/c1-12(19-11-16)6-5-9-14(17)10-15(18)13-7-3-2-4-8-13/h2-5,7-9,11-12,15,18H,6,10H2,1H3/b9-5+/t12-,15-/m1/s1.
What are the key properties of [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate?
[(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate has a molecular weight of 262.31 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R,8R)-8-hydroxy-6-oxo-8-phenyloct-4-en-2-yl] formate is sourced from PubChem (CID 100956985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).