2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol

C19H22O6S — CID 59191228

IUPAC2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)CCC3OCCO3)cc2)c(O)c1
InChIInChI=1S/C19H22O6S/c1-2-14-3-8-18(17(20)13-14)25-15-4-6-16(7-5-15)26(21,22)12-9-19-23-10-11-24-19/h3-8,13,19-20H,2,9-12H2,1H3
InChIKeyVYEZLAYKZZSADY-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.28
Rot. Bonds7

About 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol

2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol (PubChem CID 59191228) has the molecular formula C19H22O6S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol.

Molecular Properties

Compound Name2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol
PubChem CID59191228
Molecular FormulaC19H22O6S
Molecular Weight378.45 g/mol
Exact Mass378.11
IUPAC Name2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)CCC3OCCO3)cc2)c(O)c1
InChIInChI=1S/C19H22O6S/c1-2-14-3-8-18(17(20)13-14)25-15-4-6-16(7-5-15)26(21,22)12-9-19-23-10-11-24-19/h3-8,13,19-20H,2,9-12H2,1H3
InChIKeyVYEZLAYKZZSADY-UHFFFAOYSA-N
XLogP3.28
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol?
The IUPAC name of 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol (CID 59191228) is 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol.
What is the SMILES notation for 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol?
The canonical SMILES for 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol is CCc1ccc(Oc2ccc(S(=O)(=O)CCC3OCCO3)cc2)c(O)c1.
What is the InChIKey of 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol?
The InChIKey is VYEZLAYKZZSADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6S/c1-2-14-3-8-18(17(20)13-14)25-15-4-6-16(7-5-15)26(21,22)12-9-19-23-10-11-24-19/h3-8,13,19-20H,2,9-12H2,1H3.
What are the key properties of 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol?
2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol has a molecular weight of 378.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-dioxolan-2-yl)ethylsulfonyl]phenoxy]-5-ethylphenol is sourced from PubChem (CID 59191228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).