(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol

C14H20O6 — CID 102305426

IUPAC(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol
SMILESC=Cc1ccc(C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H20O6/c1-2-8-3-5-9(6-4-8)11(17)13(19)14(20)12(18)10(16)7-15/h2-6,10-20H,1,7H2/t10-,11?,12-,13-,14+/m1/s1
InChIKeyRSBYBDLFAIIAMF-RFLLOBDJSA-N
MW284.31 g/mol
LogP-1.20
Rot. Bonds7

About (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol

(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol (PubChem CID 102305426) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol
PubChem CID102305426
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol
SMILESC=Cc1ccc(C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H20O6/c1-2-8-3-5-9(6-4-8)11(17)13(19)14(20)12(18)10(16)7-15/h2-6,10-20H,1,7H2/t10-,11?,12-,13-,14+/m1/s1
InChIKeyRSBYBDLFAIIAMF-RFLLOBDJSA-N
XLogP-1.20
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol 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,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol (CID 102305426) is (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol is C=Cc1ccc(C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol?
The InChIKey is RSBYBDLFAIIAMF-RFLLOBDJSA-N. The full InChI is InChI=1S/C14H20O6/c1-2-8-3-5-9(6-4-8)11(17)13(19)14(20)12(18)10(16)7-15/h2-6,10-20H,1,7H2/t10-,11?,12-,13-,14+/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol has a molecular weight of 284.31 g/mol, XLogP of -1.20, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 102305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).