2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol

C18H20O5S — CID 173091100

IUPAC2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol
SMILESCCOc1cccc(C=CS(=O)(=O)Cc2ccc(OC)cc2O)c1
InChIInChI=1S/C18H20O5S/c1-3-23-17-6-4-5-14(11-17)9-10-24(20,21)13-15-7-8-16(22-2)12-18(15)19/h4-12,19H,3,13H2,1-2H3
InChIKeyBFCODSOTMCJJKR-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.39
Rot. Bonds7

About 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol

2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol (PubChem CID 173091100) has the molecular formula C18H20O5S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol
PubChem CID173091100
Molecular FormulaC18H20O5S
Molecular Weight348.42 g/mol
Exact Mass348.10
IUPAC Name2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol
SMILESCCOc1cccc(C=CS(=O)(=O)Cc2ccc(OC)cc2O)c1
InChIInChI=1S/C18H20O5S/c1-3-23-17-6-4-5-14(11-17)9-10-24(20,21)13-15-7-8-16(22-2)12-18(15)19/h4-12,19H,3,13H2,1-2H3
InChIKeyBFCODSOTMCJJKR-UHFFFAOYSA-N
XLogP3.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(3-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 78889146
(E)-1-(4-ethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346015
3-(3-ethoxyphenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 75890323
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(E)-3-(3-ethoxyphenyl)prop-2-en-1-ol
CID 11073969
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
CID 87669895
1,4-diethoxy-2-[(E)-2-[(4-methoxyphenyl)methylsulfonyl]ethenyl]benzene
CID 22136870
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
6-ethoxy-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 101076460
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
1-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-ol
CID 57387489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol?
The IUPAC name of 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol (CID 173091100) is 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol?
The canonical SMILES for 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol is CCOc1cccc(C=CS(=O)(=O)Cc2ccc(OC)cc2O)c1.
What is the InChIKey of 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol?
The InChIKey is BFCODSOTMCJJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5S/c1-3-23-17-6-4-5-14(11-17)9-10-24(20,21)13-15-7-8-16(22-2)12-18(15)19/h4-12,19H,3,13H2,1-2H3.
What are the key properties of 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol?
2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol has a molecular weight of 348.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxyphenyl)ethenylsulfonylmethyl]-5-methoxyphenol is sourced from PubChem (CID 173091100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).