4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol

C17H20O3 — CID 23147068

IUPAC4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCOC
InChIInChI=1S/C17H20O3/c1-3-13-14(9-10-20-2)17(16(19)11-15(13)18)12-7-5-4-6-8-12/h4-8,11,18-19H,3,9-10H2,1-2H3
InChIKeyJHOACMLBWBAWOY-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.52
Rot. Bonds5

About 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol

4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol (PubChem CID 23147068) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
PubChem CID23147068
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2ccccc2)c1CCOC
InChIInChI=1S/C17H20O3/c1-3-13-14(9-10-20-2)17(16(19)11-15(13)18)12-7-5-4-6-8-12/h4-8,11,18-19H,3,9-10H2,1-2H3
InChIKeyJHOACMLBWBAWOY-UHFFFAOYSA-N
XLogP3.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
CID 23147031
4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147014
4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
CID 23147494
methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
4-ethyl-5-[2-[4-(hydroxymethyl)-1,3-oxazol-5-yl]ethyl]-6-phenylbenzene-1,3-diol
CID 23147391
4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147378
4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
CID 101302782
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
CID 175980363
CID 175980363
2,5-diethyl-3-phenylbenzene-1,4-diol
CID 101302575
2,3-diethyl-5-phenylbenzene-1,4-diol
CID 23109186
N-(2,3-dihydroxypropyl)-5-[2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 23147361

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol?
The IUPAC name of 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol (CID 23147068) is 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol is CCc1c(O)cc(O)c(-c2ccccc2)c1CCOC.
What is the InChIKey of 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol?
The InChIKey is JHOACMLBWBAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-3-13-14(9-10-20-2)17(16(19)11-15(13)18)12-7-5-4-6-8-12/h4-8,11,18-19H,3,9-10H2,1-2H3.
What are the key properties of 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol?
4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol has a molecular weight of 272.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol is sourced from PubChem (CID 23147068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).