2-benzhydryloxyoxane

C18H20O2 — CID 11043774

IUPAC2-benzhydryloxyoxane
SMILESc1ccc(C(OC2CCCCO2)c2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)20-17-13-7-8-14-19-17/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyYXGWESUPDNZCQM-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.32
Rot. Bonds4

About 2-benzhydryloxyoxane

2-benzhydryloxyoxane (PubChem CID 11043774) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-benzhydryloxyoxane.

Molecular Properties

Compound Name2-benzhydryloxyoxane
PubChem CID11043774
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-benzhydryloxyoxane
SMILESc1ccc(C(OC2CCCCO2)c2ccccc2)cc1
InChIInChI=1S/C18H20O2/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)20-17-13-7-8-14-19-17/h1-6,9-12,17-18H,7-8,13-14H2
InChIKeyYXGWESUPDNZCQM-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxyoxane?
The IUPAC name of 2-benzhydryloxyoxane (CID 11043774) is 2-benzhydryloxyoxane.
What is the SMILES notation for 2-benzhydryloxyoxane?
The canonical SMILES for 2-benzhydryloxyoxane is c1ccc(C(OC2CCCCO2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydryloxyoxane?
The InChIKey is YXGWESUPDNZCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)20-17-13-7-8-14-19-17/h1-6,9-12,17-18H,7-8,13-14H2.
What are the key properties of 2-benzhydryloxyoxane?
2-benzhydryloxyoxane has a molecular weight of 268.36 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxyoxane is sourced from PubChem (CID 11043774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).