3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol

C16H18O5 — CID 175822516

IUPAC3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
SMILESCOc1cccc(CCc2cc(O)c(O)c(OC)c2O)c1
InChIInChI=1S/C16H18O5/c1-20-12-5-3-4-10(8-12)6-7-11-9-13(17)15(19)16(21-2)14(11)18/h3-5,8-9,17-19H,6-7H2,1-2H3
InChIKeyHRVUGCNISBUERN-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.61
Rot. Bonds5

About 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol

3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol (PubChem CID 175822516) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol.

Molecular Properties

Compound Name3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
PubChem CID175822516
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol
SMILESCOc1cccc(CCc2cc(O)c(O)c(OC)c2O)c1
InChIInChI=1S/C16H18O5/c1-20-12-5-3-4-10(8-12)6-7-11-9-13(17)15(19)16(21-2)14(11)18/h3-5,8-9,17-19H,6-7H2,1-2H3
InChIKeyHRVUGCNISBUERN-UHFFFAOYSA-N
XLogP2.61
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
5-[3-hydroxy-4-[2-(3-methoxyphenyl)ethyl]phenyl]-2-[2-(3-methoxyphenyl)ethyl]phenol
CID 172870666
4-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1-methylbenzene
CID 13300063
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
3-[2-[4-hydroxy-3-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene-1,2-diol
CID 163036372
5-[2-[3-hydroxy-4-methoxy-5-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-2-methoxybenzene-1,3-diol
CID 172871151
1-methoxy-3-propylbenzene
CID 14270128
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
2-[5-chloro-3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethanamine;hydrochloride
CID 23043952
3-[4-hydroxy-3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2-methylpropanoic acid
CID 122686396
1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol
CID 70089547

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol?
The IUPAC name of 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol (CID 175822516) is 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol.
What is the SMILES notation for 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol?
The canonical SMILES for 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol is COc1cccc(CCc2cc(O)c(O)c(OC)c2O)c1.
What is the InChIKey of 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol?
The InChIKey is HRVUGCNISBUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-20-12-5-3-4-10(8-12)6-7-11-9-13(17)15(19)16(21-2)14(11)18/h3-5,8-9,17-19H,6-7H2,1-2H3.
What are the key properties of 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol?
3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol has a molecular weight of 290.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]benzene-1,2,4-triol is sourced from PubChem (CID 175822516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).