2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol

C19H22O6 — CID 154951443

IUPAC2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol
SMILESC=CCc1c(O)cc(O)c(COc2cc(O)cc(O)c2CCC)c1O
InChIInChI=1S/C19H22O6/c1-3-5-12-15(21)7-11(20)8-18(12)25-10-14-17(23)9-16(22)13(6-4-2)19(14)24/h4,7-9,20-24H,2-3,5-6,10H2,1H3
InChIKeyLLZOHFJMIOIJLY-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.47
Rot. Bonds7

About 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol

2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol (PubChem CID 154951443) has the molecular formula C19H22O6 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol.

Molecular Properties

Compound Name2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol
PubChem CID154951443
Molecular FormulaC19H22O6
Molecular Weight346.38 g/mol
Exact Mass346.14
IUPAC Name2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol
SMILESC=CCc1c(O)cc(O)c(COc2cc(O)cc(O)c2CCC)c1O
InChIInChI=1S/C19H22O6/c1-3-5-12-15(21)7-11(20)8-18(12)25-10-14-17(23)9-16(22)13(6-4-2)19(14)24/h4,7-9,20-24H,2-3,5-6,10H2,1H3
InChIKeyLLZOHFJMIOIJLY-UHFFFAOYSA-N
XLogP3.47
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol?
The IUPAC name of 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol (CID 154951443) is 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol.
What is the SMILES notation for 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol?
The canonical SMILES for 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol is C=CCc1c(O)cc(O)c(COc2cc(O)cc(O)c2CCC)c1O.
What is the InChIKey of 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol?
The InChIKey is LLZOHFJMIOIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O6/c1-3-5-12-15(21)7-11(20)8-18(12)25-10-14-17(23)9-16(22)13(6-4-2)19(14)24/h4,7-9,20-24H,2-3,5-6,10H2,1H3.
What are the key properties of 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol?
2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol has a molecular weight of 346.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dihydroxy-2-propylphenoxy)methyl]-4-prop-2-enylbenzene-1,3,5-triol is sourced from PubChem (CID 154951443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).