(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol

C21H24O6 — CID 66583957

IUPAC(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol
SMILESCOC(=Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=Cc1ccccc1
InChIInChI=1S/C21H24O6/c1-27-17(13-15-10-6-3-7-11-15)19(24)21(26)20(25)18(23)16(22)12-14-8-4-2-5-9-14/h2-13,18-26H,1H3/t18-,19+,20-,21-/m1/s1
InChIKeyRGDZYDLAOISUKJ-PLACYPQZSA-N
MW372.42 g/mol
LogP1.72
Rot. Bonds8

About (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol

(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol (PubChem CID 66583957) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol.

Molecular Properties

Compound Name(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol
PubChem CID66583957
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol
SMILESCOC(=Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=Cc1ccccc1
InChIInChI=1S/C21H24O6/c1-27-17(13-15-10-6-3-7-11-15)19(24)21(26)20(25)18(23)16(22)12-14-8-4-2-5-9-14/h2-13,18-26H,1H3/t18-,19+,20-,21-/m1/s1
InChIKeyRGDZYDLAOISUKJ-PLACYPQZSA-N
XLogP1.72
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol?
The IUPAC name of (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol (CID 66583957) is (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol.
What is the SMILES notation for (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol?
The canonical SMILES for (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol is COC(=Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=Cc1ccccc1.
What is the InChIKey of (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol?
The InChIKey is RGDZYDLAOISUKJ-PLACYPQZSA-N. The full InChI is InChI=1S/C21H24O6/c1-27-17(13-15-10-6-3-7-11-15)19(24)21(26)20(25)18(23)16(22)12-14-8-4-2-5-9-14/h2-13,18-26H,1H3/t18-,19+,20-,21-/m1/s1.
What are the key properties of (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol?
(3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol has a molecular weight of 372.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-7-methoxy-1,8-diphenylocta-1,7-diene-2,3,4,5,6-pentol is sourced from PubChem (CID 66583957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).