2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran

C24H26O3 — CID 67843739

IUPAC2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran
SMILESC1=COC(Cc2ccccc2)(OC2(Cc3ccccc3)CCC=CO2)CC1
InChIInChI=1S/C24H26O3/c1-3-11-21(12-4-1)19-23(15-7-9-17-25-23)27-24(16-8-10-18-26-24)20-22-13-5-2-6-14-22/h1-6,9-14,17-18H,7-8,15-16,19-20H2
InChIKeyCKBKHXHYBMMINP-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.53
Rot. Bonds6

About 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran

2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran (PubChem CID 67843739) has the molecular formula C24H26O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran.

Molecular Properties

Compound Name2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran
PubChem CID67843739
Molecular FormulaC24H26O3
Molecular Weight362.47 g/mol
Exact Mass362.19
IUPAC Name2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran
SMILESC1=COC(Cc2ccccc2)(OC2(Cc3ccccc3)CCC=CO2)CC1
InChIInChI=1S/C24H26O3/c1-3-11-21(12-4-1)19-23(15-7-9-17-25-23)27-24(16-8-10-18-26-24)20-22-13-5-2-6-14-22/h1-6,9-14,17-18H,7-8,15-16,19-20H2
InChIKeyCKBKHXHYBMMINP-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran?
The IUPAC name of 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran (CID 67843739) is 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran.
What is the SMILES notation for 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran?
The canonical SMILES for 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran is C1=COC(Cc2ccccc2)(OC2(Cc3ccccc3)CCC=CO2)CC1.
What is the InChIKey of 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran?
The InChIKey is CKBKHXHYBMMINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3/c1-3-11-21(12-4-1)19-23(15-7-9-17-25-23)27-24(16-8-10-18-26-24)20-22-13-5-2-6-14-22/h1-6,9-14,17-18H,7-8,15-16,19-20H2.
What are the key properties of 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran?
2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran has a molecular weight of 362.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-[(2-benzyl-3,4-dihydropyran-2-yl)oxy]-3,4-dihydropyran is sourced from PubChem (CID 67843739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).