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

C17H20O4 — CID 23147378

IUPAC4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CCO
InChIInChI=1S/C17H20O4/c1-3-13-14(7-8-18)17(16(20)10-15(13)19)11-5-4-6-12(9-11)21-2/h4-6,9-10,18-20H,3,7-8H2,1-2H3
InChIKeyYNMFYVAWXHCLEJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.87
Rot. Bonds5

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

4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol (PubChem CID 23147378) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
PubChem CID23147378
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CCO
InChIInChI=1S/C17H20O4/c1-3-13-14(7-8-18)17(16(20)10-15(13)19)11-5-4-6-12(9-11)21-2/h4-6,9-10,18-20H,3,7-8H2,1-2H3
InChIKeyYNMFYVAWXHCLEJ-UHFFFAOYSA-N
XLogP2.87
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-(2-methoxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol
CID 23147014
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-ethyl-5-(2-methoxyethyl)-6-(3-methylphenyl)benzene-1,3-diol
CID 23147031
4-ethyl-5-(2-methoxyethyl)-6-phenylbenzene-1,3-diol
CID 23147068
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703
5-[2-(2,3-dihydroxypropoxy)ethyl]-4-ethyl-6-[3-(pyridin-2-ylmethoxy)phenyl]benzene-1,3-diol
CID 23147569
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
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
5-[[(4S,5S)-4,5-bis(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]-4-ethyl-6-(3-hydroxyphenyl)benzene-1,3-diol
CID 87662949
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
The IUPAC name of 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol (CID 23147378) is 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol is CCc1c(O)cc(O)c(-c2cccc(OC)c2)c1CCO.
What is the InChIKey of 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
The InChIKey is YNMFYVAWXHCLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-3-13-14(7-8-18)17(16(20)10-15(13)19)11-5-4-6-12(9-11)21-2/h4-6,9-10,18-20H,3,7-8H2,1-2H3.
What are the key properties of 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol?
4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol has a molecular weight of 288.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-hydroxyethyl)-6-(3-methoxyphenyl)benzene-1,3-diol is sourced from PubChem (CID 23147378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).