2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane

C16H24O3 — CID 14114884

IUPAC2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane
SMILESCOC(CCc1ccccc1)C1CCCOC1OC
InChIInChI=1S/C16H24O3/c1-17-15(11-10-13-7-4-3-5-8-13)14-9-6-12-19-16(14)18-2/h3-5,7-8,14-16H,6,9-12H2,1-2H3
InChIKeyAUQJMKFTCIGVNU-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.03
Rot. Bonds6

About 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane

2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane (PubChem CID 14114884) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane.

Molecular Properties

Compound Name2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane
PubChem CID14114884
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane
SMILESCOC(CCc1ccccc1)C1CCCOC1OC
InChIInChI=1S/C16H24O3/c1-17-15(11-10-13-7-4-3-5-8-13)14-9-6-12-19-16(14)18-2/h3-5,7-8,14-16H,6,9-12H2,1-2H3
InChIKeyAUQJMKFTCIGVNU-UHFFFAOYSA-N
XLogP3.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-2-methoxyoxane
CID 13382528
(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
(2R)-2-(1-bromo-3-phenylpropyl)oxolane
CID 139247608
methyl 2-(oxan-2-yl)-4-phenylbutanoate
CID 175424806
dimethyl-(oxolan-2-yl)-(2-phenylethyl)silane
CID 13268601
(5-cyclohexyl-3-methoxypentyl)benzene
CID 143381268
(2R)-2-[(1R)-1-iodo-4-phenylbutyl]oxolane
CID 11461659
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115793579
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane?
The IUPAC name of 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane (CID 14114884) is 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane.
What is the SMILES notation for 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane?
The canonical SMILES for 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane is COC(CCc1ccccc1)C1CCCOC1OC.
What is the InChIKey of 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane?
The InChIKey is AUQJMKFTCIGVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-17-15(11-10-13-7-4-3-5-8-13)14-9-6-12-19-16(14)18-2/h3-5,7-8,14-16H,6,9-12H2,1-2H3.
What are the key properties of 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane?
2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane has a molecular weight of 264.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(1-methoxy-3-phenylpropyl)oxane is sourced from PubChem (CID 14114884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).