4-(4-benzylphenoxy)oxane

C18H20O2 — CID 142700383

IUPAC4-(4-benzylphenoxy)oxane
SMILESc1ccc(Cc2ccc(OC3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20O2/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)20-18-10-12-19-13-11-18/h1-9,18H,10-14H2
InChIKeyLAKIXPUHMKDIOI-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-benzylphenoxy)oxane

4-(4-benzylphenoxy)oxane (PubChem CID 142700383) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-benzylphenoxy)oxane.

Molecular Properties

Compound Name4-(4-benzylphenoxy)oxane
PubChem CID142700383
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(4-benzylphenoxy)oxane
SMILESc1ccc(Cc2ccc(OC3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20O2/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)20-18-10-12-19-13-11-18/h1-9,18H,10-14H2
InChIKeyLAKIXPUHMKDIOI-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Etofenprox
CID 71245
Cyclofenil
CID 2898
Chlorotrianisene
CID 11289
Cresyl glycidyl ether
CID 16606
Xanthene
CID 7107
p-tert-Butylphenyl glycidyl ether
CID 18360
4-Nonylphenol diethoxylate
CID 24773
Bisphenol F diglycidyl ether
CID 91511
4-Methoxybiphenyl
CID 11943
Diethylstilbestrol Dipropionate
CID 657220
Xanthydrol
CID 72861

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenoxy)oxane?
The IUPAC name of 4-(4-benzylphenoxy)oxane (CID 142700383) is 4-(4-benzylphenoxy)oxane.
What is the SMILES notation for 4-(4-benzylphenoxy)oxane?
The canonical SMILES for 4-(4-benzylphenoxy)oxane is c1ccc(Cc2ccc(OC3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(4-benzylphenoxy)oxane?
The InChIKey is LAKIXPUHMKDIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-2-4-15(5-3-1)14-16-6-8-17(9-7-16)20-18-10-12-19-13-11-18/h1-9,18H,10-14H2.
What are the key properties of 4-(4-benzylphenoxy)oxane?
4-(4-benzylphenoxy)oxane has a molecular weight of 268.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenoxy)oxane is sourced from PubChem (CID 142700383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).