4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol

C17H20O5 — CID 44611838

IUPAC4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
SMILESCOc1cc(OC)c(CCc2ccc(O)cc2O)c(OC)c1
InChIInChI=1S/C17H20O5/c1-20-13-9-16(21-2)14(17(10-13)22-3)7-5-11-4-6-12(18)8-15(11)19/h4,6,8-10,18-19H,5,7H2,1-3H3
InChIKeyDOYZCNSAVHGVIV-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.91
Rot. Bonds6

About 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol

4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol (PubChem CID 44611838) has the molecular formula C17H20O5 and a molecular weight of 304.34 g/mol. Its IUPAC name is 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
PubChem CID44611838
Molecular FormulaC17H20O5
Molecular Weight304.34 g/mol
Exact Mass304.13
IUPAC Name4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
SMILESCOc1cc(OC)c(CCc2ccc(O)cc2O)c(OC)c1
InChIInChI=1S/C17H20O5/c1-20-13-9-16(21-2)14(17(10-13)22-3)7-5-11-4-6-12(18)8-15(11)19/h4,6,8-10,18-19H,5,7H2,1-3H3
InChIKeyDOYZCNSAVHGVIV-UHFFFAOYSA-N
XLogP2.91
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
5-methoxy-2-propylphenol
CID 12836519
2-[3-(4-hydroxy-2,3-dimethylphenyl)propyl]benzene-1,4-diol;4-[3-(4-methoxy-2,3-dimethylphenyl)propyl]benzene-1,3-diol
CID 161189941
2-[3-(dimethylamino)propyl]-5-methoxyphenol
CID 170865157
4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870651
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
1-hydroxy-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methoxyphenyl)propan-2-one
CID 54483282
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
2-(4,4-dimethylpentyl)-5-methoxyphenol
CID 146337312

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol (CID 44611838) is 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol is COc1cc(OC)c(CCc2ccc(O)cc2O)c(OC)c1.
What is the InChIKey of 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol?
The InChIKey is DOYZCNSAVHGVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O5/c1-20-13-9-16(21-2)14(17(10-13)22-3)7-5-11-4-6-12(18)8-15(11)19/h4,6,8-10,18-19H,5,7H2,1-3H3.
What are the key properties of 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol?
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol has a molecular weight of 304.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol is sourced from PubChem (CID 44611838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).