ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate

C24H30O6 — CID 142133451

IUPACethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate
SMILESCCOC(=O)OCC1CC(O)CC(Oc2ccccc2Cc2ccc(CC)cc2)O1
InChIInChI=1S/C24H30O6/c1-3-17-9-11-18(12-10-17)13-19-7-5-6-8-22(19)30-23-15-20(25)14-21(29-23)16-28-24(26)27-4-2/h5-12,20-21,23,25H,3-4,13-16H2,1-2H3
InChIKeyRQBUCRZWYKIXGE-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.26
Rot. Bonds8

About ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate

ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate (PubChem CID 142133451) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate.

Molecular Properties

Compound Nameethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate
PubChem CID142133451
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Nameethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate
SMILESCCOC(=O)OCC1CC(O)CC(Oc2ccccc2Cc2ccc(CC)cc2)O1
InChIInChI=1S/C24H30O6/c1-3-17-9-11-18(12-10-17)13-19-7-5-6-8-22(19)30-23-15-20(25)14-21(29-23)16-28-24(26)27-4-2/h5-12,20-21,23,25H,3-4,13-16H2,1-2H3
InChIKeyRQBUCRZWYKIXGE-UHFFFAOYSA-N
XLogP4.26
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-6-(2-benzylphenoxy)-3,4-dihydroxyoxan-2-yl]methyl ethyl carbonate
CID 143843045
hydroxy-[[4-hydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methoxy]-oxoazanium
CID 123853344
ethyl 2-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
CID 123138168
2-[2-[(4-ethynylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxan-4-ol
CID 143070264
ethyl [3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate
CID 22506569
ethyl 3-[6-[2-[(4-methoxyphenyl)methyl]phenoxy]-4-nitrosooxan-2-yl]propanoate
CID 146214219
(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
(2S,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10109940
(2R,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69014613
(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 142600396
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
[(2S,4S,5R,6R)-6-[5-amino-2-[(4-ethylphenyl)methyl]phenoxy]-4,5-dibenzoyloxyoxan-2-yl]methyl benzoate
CID 68989726

Frequently Asked Questions

What is the IUPAC name of ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate?
The IUPAC name of ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate (CID 142133451) is ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate.
What is the SMILES notation for ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate?
The canonical SMILES for ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate is CCOC(=O)OCC1CC(O)CC(Oc2ccccc2Cc2ccc(CC)cc2)O1.
What is the InChIKey of ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate?
The InChIKey is RQBUCRZWYKIXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-3-17-9-11-18(12-10-17)13-19-7-5-6-8-22(19)30-23-15-20(25)14-21(29-23)16-28-24(26)27-4-2/h5-12,20-21,23,25H,3-4,13-16H2,1-2H3.
What are the key properties of ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate?
ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate has a molecular weight of 414.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [6-[2-[(4-ethylphenyl)methyl]phenoxy]-4-hydroxyoxan-2-yl]methyl carbonate is sourced from PubChem (CID 142133451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).