4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol

C18H20O4 — CID 139826647

IUPAC4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol
SMILESCC=COc1ccc(CCCc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C18H20O4/c1-2-10-22-16-9-7-14(18(21)12-16)5-3-4-13-6-8-15(19)11-17(13)20/h2,6-12,19-21H,3-5H2,1H3
InChIKeyUCEYOUCXPQIAML-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.89
Rot. Bonds6

About 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol

4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol (PubChem CID 139826647) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol
PubChem CID139826647
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol
SMILESCC=COc1ccc(CCCc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C18H20O4/c1-2-10-22-16-9-7-14(18(21)12-16)5-3-4-13-6-8-15(19)11-17(13)20/h2,6-12,19-21H,3-5H2,1H3
InChIKeyUCEYOUCXPQIAML-UHFFFAOYSA-N
XLogP3.89
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol?
The IUPAC name of 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol (CID 139826647) is 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol?
The canonical SMILES for 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol is CC=COc1ccc(CCCc2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol?
The InChIKey is UCEYOUCXPQIAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-2-10-22-16-9-7-14(18(21)12-16)5-3-4-13-6-8-15(19)11-17(13)20/h2,6-12,19-21H,3-5H2,1H3.
What are the key properties of 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol?
4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol has a molecular weight of 300.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxy-4-prop-1-enoxyphenyl)propyl]benzene-1,3-diol is sourced from PubChem (CID 139826647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).