2,4-bis(phenylmethoxy)oxane

C19H22O3 — CID 123735835

IUPAC2,4-bis(phenylmethoxy)oxane
SMILESc1ccc(COC2CCOC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22O3/c1-3-7-16(8-4-1)14-21-18-11-12-20-19(13-18)22-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyKEHDGUBBRYXFFG-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.93
Rot. Bonds6

About 2,4-bis(phenylmethoxy)oxane

2,4-bis(phenylmethoxy)oxane (PubChem CID 123735835) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,4-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name2,4-bis(phenylmethoxy)oxane
PubChem CID123735835
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2,4-bis(phenylmethoxy)oxane
SMILESc1ccc(COC2CCOC(OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22O3/c1-3-7-16(8-4-1)14-21-18-11-12-20-19(13-18)22-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyKEHDGUBBRYXFFG-UHFFFAOYSA-N
XLogP3.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylmethoxyoxetane
CID 23030739
4-phenylmethoxyoxane
CID 66554133
phenyl 2-[(2S,4R)-4-phenylmethoxyoxan-2-yl]acetate
CID 44520296
3-phenylmethoxycyclopentan-1-amine
CID 79421215
[4,6-bis(phenylmethoxy)oxan-2-yl]methanamine
CID 139575571
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
azane;cyclopentyloxymethylbenzene
CID 69411306
N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine
CID 146131113
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethoxy)oxane?
The IUPAC name of 2,4-bis(phenylmethoxy)oxane (CID 123735835) is 2,4-bis(phenylmethoxy)oxane.
What is the SMILES notation for 2,4-bis(phenylmethoxy)oxane?
The canonical SMILES for 2,4-bis(phenylmethoxy)oxane is c1ccc(COC2CCOC(OCc3ccccc3)C2)cc1.
What is the InChIKey of 2,4-bis(phenylmethoxy)oxane?
The InChIKey is KEHDGUBBRYXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-7-16(8-4-1)14-21-18-11-12-20-19(13-18)22-15-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2.
What are the key properties of 2,4-bis(phenylmethoxy)oxane?
2,4-bis(phenylmethoxy)oxane has a molecular weight of 298.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylmethoxy)oxane is sourced from PubChem (CID 123735835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).