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

C18H22O4 — CID 23147014

IUPAC4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CCOC
InChIInChI=1S/C18H22O4/c1-4-14-15(8-9-21-2)18(17(20)11-16(14)19)12-6-5-7-13(10-12)22-3/h5-7,10-11,19-20H,4,8-9H2,1-3H3
InChIKeyAZNSVBOSRUIYRY-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.52
Rot. Bonds6

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

4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol (PubChem CID 23147014) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
PubChem CID23147014
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CCOC
InChIInChI=1S/C18H22O4/c1-4-14-15(8-9-21-2)18(17(20)11-16(14)19)12-6-5-7-13(10-12)22-3/h5-7,10-11,19-20H,4,8-9H2,1-3H3
InChIKeyAZNSVBOSRUIYRY-UHFFFAOYSA-N
XLogP3.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147378
5-[[(4R,5R)-4,5-bis(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]-4-ethyl-6-(3-methoxyphenyl)benzene-1,3-diol
CID 87661781
5-[2-(2,3-dihydroxypropoxy)ethyl]-4-ethyl-6-[3-(pyridin-2-ylmethoxy)phenyl]benzene-1,3-diol
CID 23147569
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
6-ethyl-5-(3-methoxyphenyl)-11-azatricyclo[5.3.1.04,11]undeca-1(10),2,4,6,8-pentaene-2,3-dicarboxylic acid
CID 18780622
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-chloro-2-(3-methoxyphenyl)benzene-1,3-diol
CID 175727272
6-ethyl-2-(2-methoxyethyl)-5-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868283
5-(3-methoxyphenyl)-2-methylphenol
CID 53218836
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
The IUPAC name of 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol (CID 23147014) is 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol is CCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CCOC.
What is the InChIKey of 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
The InChIKey is AZNSVBOSRUIYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-4-14-15(8-9-21-2)18(17(20)11-16(14)19)12-6-5-7-13(10-12)22-3/h5-7,10-11,19-20H,4,8-9H2,1-3H3.
What are the key properties of 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol has a molecular weight of 302.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 23147014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).