2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol

C16H26O4 — CID 156747530

IUPAC2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
SMILESCC(C)(O)O.c1ccc(COCCC2CCCO2)cc1
InChIInChI=1S/C13H18O2.C3H8O2/c1-2-5-12(6-3-1)11-14-10-8-13-7-4-9-15-13;1-3(2,4)5/h1-3,5-6,13H,4,7-11H2;4-5H,1-2H3
InChIKeyREESFCKUPBXRRD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol

2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol (PubChem CID 156747530) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
PubChem CID156747530
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol
SMILESCC(C)(O)O.c1ccc(COCCC2CCCO2)cc1
InChIInChI=1S/C13H18O2.C3H8O2/c1-2-5-12(6-3-1)11-14-10-8-13-7-4-9-15-13;1-3(2,4)5/h1-3,5-6,13H,4,7-11H2;4-5H,1-2H3
InChIKeyREESFCKUPBXRRD-UHFFFAOYSA-N
XLogP2.48
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-phenylmethoxyethyl)oxolane
CID 71119139
(4aR,6S,8R,10aS)-6-(2-phenylmethoxyethyl)-2,3,4,4a,6,7,8,9,10,10a-decahydropyrano[3,2-b]oxocin-8-ol
CID 135033476
3-benzyl-6-(oxolan-2-yl)hexan-3-ol
CID 79008182
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-methoxypropan-2-ol;2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450312
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
CID 143391209
1-(oxolan-2-ylmethyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077068
dibenzyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 20531619
2-(phenylmethoxymethyl)oxane-3-thiol
CID 14206189
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol?
The IUPAC name of 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol (CID 156747530) is 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol?
The canonical SMILES for 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol is CC(C)(O)O.c1ccc(COCCC2CCCO2)cc1.
What is the InChIKey of 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol?
The InChIKey is REESFCKUPBXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C3H8O2/c1-2-5-12(6-3-1)11-14-10-8-13-7-4-9-15-13;1-3(2,4)5/h1-3,5-6,13H,4,7-11H2;4-5H,1-2H3.
What are the key properties of 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol?
2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol has a molecular weight of 282.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)oxolane;propane-2,2-diol is sourced from PubChem (CID 156747530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).