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

C18H22O3 — CID 23147031

IUPAC4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2cccc(C)c2)c1CCOC
InChIInChI=1S/C18H22O3/c1-4-14-15(8-9-21-3)18(17(20)11-16(14)19)13-7-5-6-12(2)10-13/h5-7,10-11,19-20H,4,8-9H2,1-3H3
InChIKeyBXPMVALYNAFWMD-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.82
Rot. Bonds5

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

4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol (PubChem CID 23147031) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
PubChem CID23147031
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2cccc(C)c2)c1CCOC
InChIInChI=1S/C18H22O3/c1-4-14-15(8-9-21-3)18(17(20)11-16(14)19)13-7-5-6-12(2)10-13/h5-7,10-11,19-20H,4,8-9H2,1-3H3
InChIKeyBXPMVALYNAFWMD-UHFFFAOYSA-N
XLogP3.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
CID 23147068
4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147014
4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147378
4-ethyl-5-[2-(2-hydroxyethoxy)ethyl]-6-phenylbenzene-1,3-diol
CID 23147494
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
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
5-[2-(2,3-dihydroxypropoxy)ethyl]-4-ethyl-6-[3-(pyridin-2-ylmethoxy)phenyl]benzene-1,3-diol
CID 23147569
5-[[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]-4-ethyl-6-(3-methoxyphenyl)benzene-1,3-diol
CID 87661781
4,5-dimethyl-2-(3-methylphenyl)benzene-1,3-diol
CID 101299034
4,5-diethyl-6-(4-ethylphenyl)benzene-1,3-diol
CID 101302782
3,5-dimethyl-2-(3-methylphenyl)benzene-1,4-diol
CID 101299061

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol?
The IUPAC name of 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol (CID 23147031) is 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol is CCc1c(O)cc(O)c(-c2cccc(C)c2)c1CCOC.
What is the InChIKey of 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol?
The InChIKey is BXPMVALYNAFWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-14-15(8-9-21-3)18(17(20)11-16(14)19)13-7-5-6-12(2)10-13/h5-7,10-11,19-20H,4,8-9H2,1-3H3.
What are the key properties of 4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol?
4-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol has a molecular weight of 286.37 g/mol, XLogP of 3.82, 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-(3-methylphenyl)benzene-1,3-diol is sourced from PubChem (CID 23147031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).