methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate

C17H18O4 — CID 87660795

IUPACmethyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CC(=O)OC
InChIInChI=1S/C17H18O4/c1-3-12-13(9-16(20)21-2)17(15(19)10-14(12)18)11-7-5-4-6-8-11/h4-8,10,18-19H,3,9H2,1-2H3
InChIKeyIKCFKOKIOXUVET-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.04
Rot. Bonds4

About methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate

methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate (PubChem CID 87660795) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
PubChem CID87660795
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Namemethyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CC(=O)OC
InChIInChI=1S/C17H18O4/c1-3-12-13(9-16(20)21-2)17(15(19)10-14(12)18)11-7-5-4-6-8-11/h4-8,10,18-19H,3,9H2,1-2H3
InChIKeyIKCFKOKIOXUVET-UHFFFAOYSA-N
XLogP3.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-benzoyl-6-ethyl-3,5-dihydroxyphenyl)acetate
CID 11995674
4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
CID 23147068
methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
CID 11230647
4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
CID 23147494
2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575
methyl 2-(2-hydroxy-5-phenylphenyl)acetate
CID 174533369
4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol
CID 23147391
4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
CID 101302782
methyl 2-[2-acetyl-3,5-dihydroxy-6-(4-propan-2-yloxyphenyl)phenyl]acetate
CID 25151859
4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
CID 23147031
methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
CID 11529918
CID 175980363
CID 175980363

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate?
The IUPAC name of methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate (CID 87660795) is methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate?
The canonical SMILES for methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate is CCc1c(O)cc(O)c(-c2ccccc2)c1CC(=O)OC.
What is the InChIKey of methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate?
The InChIKey is IKCFKOKIOXUVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-12-13(9-16(20)21-2)17(15(19)10-14(12)18)11-7-5-4-6-8-11/h4-8,10,18-19H,3,9H2,1-2H3.
What are the key properties of methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate?
methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate has a molecular weight of 286.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate is sourced from PubChem (CID 87660795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).