2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol

C22H24O4 — CID 150254240

IUPAC2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
SMILESC#CC1(O)OC(COCc2ccccc2)CCC1OCc1ccccc1
InChIInChI=1S/C22H24O4/c1-2-22(23)21(25-16-19-11-7-4-8-12-19)14-13-20(26-22)17-24-15-18-9-5-3-6-10-18/h1,3-12,20-21,23H,13-17H2
InChIKeyGAFJMIZCNDKVJI-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.29
Rot. Bonds7

About 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol

2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 150254240) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID150254240
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
SMILESC#CC1(O)OC(COCc2ccccc2)CCC1OCc1ccccc1
InChIInChI=1S/C22H24O4/c1-2-22(23)21(25-16-19-11-7-4-8-12-19)14-13-20(26-22)17-24-15-18-9-5-3-6-10-18/h1,3-12,20-21,23H,13-17H2
InChIKeyGAFJMIZCNDKVJI-UHFFFAOYSA-N
XLogP3.29
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,5-difluoro-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 153362035
[(2S)-2,5-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 134971332
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
3-methyl-2-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-ol
CID 150125273
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
CID 11810625
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 10811839
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol (CID 150254240) is 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol is C#CC1(O)OC(COCc2ccccc2)CCC1OCc1ccccc1.
What is the InChIKey of 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is GAFJMIZCNDKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-2-22(23)21(25-16-19-11-7-4-8-12-19)14-13-20(26-22)17-24-15-18-9-5-3-6-10-18/h1,3-12,20-21,23H,13-17H2.
What are the key properties of 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol?
2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 352.43 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 150254240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).