3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde

C20H20O3 — CID 56680360

IUPAC3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)c(OC)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C20H20O3/c1-4-6-14-10-17(13-21)20(23-3)18(11-14)15-8-9-19(22)16(12-15)7-5-2/h4-5,8-13,22H,1-2,6-7H2,3H3
InChIKeyFQEYXRLINAISHQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.34
Rot. Bonds7

About 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde

3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde (PubChem CID 56680360) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
PubChem CID56680360
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)c(OC)c(-c2ccc(O)c(CC=C)c2)c1
InChIInChI=1S/C20H20O3/c1-4-6-14-10-17(13-21)20(23-3)18(11-14)15-8-9-19(22)16(12-15)7-5-2/h4-5,8-13,22H,1-2,6-7H2,3H3
InChIKeyFQEYXRLINAISHQ-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde?
The IUPAC name of 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde (CID 56680360) is 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde.
What is the SMILES notation for 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde?
The canonical SMILES for 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde is C=CCc1cc(C=O)c(OC)c(-c2ccc(O)c(CC=C)c2)c1.
What is the InChIKey of 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde?
The InChIKey is FQEYXRLINAISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-4-6-14-10-17(13-21)20(23-3)18(11-14)15-8-9-19(22)16(12-15)7-5-2/h4-5,8-13,22H,1-2,6-7H2,3H3.
What are the key properties of 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde?
3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde has a molecular weight of 308.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3-prop-2-enylphenyl)-2-methoxy-5-prop-2-enylbenzaldehyde is sourced from PubChem (CID 56680360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).