3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol

C19H20O4 — CID 57395774

IUPAC3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
SMILESC=CCc1cc(O)c(O)c(-c2cc(CC=C)cc(OC)c2O)c1
InChIInChI=1S/C19H20O4/c1-4-6-12-8-14(18(21)16(20)10-12)15-9-13(7-5-2)11-17(23-3)19(15)22/h4-5,8-11,20-22H,1-2,6-7H2,3H3
InChIKeyZABDORWWQVSSDH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.94
Rot. Bonds6

About 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol

3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol (PubChem CID 57395774) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
PubChem CID57395774
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol
SMILESC=CCc1cc(O)c(O)c(-c2cc(CC=C)cc(OC)c2O)c1
InChIInChI=1S/C19H20O4/c1-4-6-12-8-14(18(21)16(20)10-12)15-9-13(7-5-2)11-17(23-3)19(15)22/h4-5,8-11,20-22H,1-2,6-7H2,3H3
InChIKeyZABDORWWQVSSDH-UHFFFAOYSA-N
XLogP3.94
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
The IUPAC name of 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol (CID 57395774) is 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol.
What is the SMILES notation for 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
The canonical SMILES for 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol is C=CCc1cc(O)c(O)c(-c2cc(CC=C)cc(OC)c2O)c1.
What is the InChIKey of 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
The InChIKey is ZABDORWWQVSSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-6-12-8-14(18(21)16(20)10-12)15-9-13(7-5-2)11-17(23-3)19(15)22/h4-5,8-11,20-22H,1-2,6-7H2,3H3.
What are the key properties of 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol?
3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol has a molecular weight of 312.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-5-prop-2-enylbenzene-1,2-diol is sourced from PubChem (CID 57395774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).