2-phenylmethoxy-6-(phenylmethoxymethyl)oxane

C20H24O3 — CID 74402872

IUPAC2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESc1ccc(COCC2CCCC(OCc3ccccc3)O2)cc1
InChIInChI=1S/C20H24O3/c1-3-8-17(9-4-1)14-21-16-19-12-7-13-20(23-19)22-15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2
InChIKeyPBVHXQMXYLPBHM-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.32
Rot. Bonds7

About 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane

2-phenylmethoxy-6-(phenylmethoxymethyl)oxane (PubChem CID 74402872) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
PubChem CID74402872
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
SMILESc1ccc(COCC2CCCC(OCc3ccccc3)O2)cc1
InChIInChI=1S/C20H24O3/c1-3-8-17(9-4-1)14-21-16-19-12-7-13-20(23-19)22-15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2
InChIKeyPBVHXQMXYLPBHM-UHFFFAOYSA-N
XLogP4.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-2-(2-bromoethoxy)-6-(phenylmethoxymethyl)oxane
CID 45113682
2-(fluoromethyl)-6-phenylmethoxyoxane
CID 101184720
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
2-methyl-6-phenylmethoxyoxane
CID 85344658
3-[5-(phenylmethoxymethyl)oxolan-2-yl]oxypropan-1-amine
CID 169187651
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane
CID 102315294
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
3,3,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 141437392
O-[6-[(4-cyclooctylphenyl)methoxymethyl]oxan-2-yl]hydroxylamine
CID 142032402
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The IUPAC name of 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane (CID 74402872) is 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane is c1ccc(COCC2CCCC(OCc3ccccc3)O2)cc1.
What is the InChIKey of 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
The InChIKey is PBVHXQMXYLPBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-8-17(9-4-1)14-21-16-19-12-7-13-20(23-19)22-15-18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2.
What are the key properties of 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane?
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane has a molecular weight of 312.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 74402872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).