1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene

C23H24O4 — CID 162665688

IUPAC1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene
SMILESC=CCOC(c1ccc(OC)c(OC)c1OC)c1cccc2ccccc12
InChIInChI=1S/C23H24O4/c1-5-15-27-21(18-12-8-10-16-9-6-7-11-17(16)18)19-13-14-20(24-2)23(26-4)22(19)25-3/h5-14,21H,1,15H2,2-4H3
InChIKeyTYSUMNQELNOWSL-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.16
Rot. Bonds8

About 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene

1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene (PubChem CID 162665688) has the molecular formula C23H24O4 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene
PubChem CID162665688
Molecular FormulaC23H24O4
Molecular Weight364.44 g/mol
Exact Mass364.17
IUPAC Name1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene
SMILESC=CCOC(c1ccc(OC)c(OC)c1OC)c1cccc2ccccc12
InChIInChI=1S/C23H24O4/c1-5-15-27-21(18-12-8-10-16-9-6-7-11-17(16)18)19-13-14-20(24-2)23(26-4)22(19)25-3/h5-14,21H,1,15H2,2-4H3
InChIKeyTYSUMNQELNOWSL-UHFFFAOYSA-N
XLogP5.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene?
The IUPAC name of 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene (CID 162665688) is 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene.
What is the SMILES notation for 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene?
The canonical SMILES for 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene is C=CCOC(c1ccc(OC)c(OC)c1OC)c1cccc2ccccc12.
What is the InChIKey of 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene?
The InChIKey is TYSUMNQELNOWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O4/c1-5-15-27-21(18-12-8-10-16-9-6-7-11-17(16)18)19-13-14-20(24-2)23(26-4)22(19)25-3/h5-14,21H,1,15H2,2-4H3.
What are the key properties of 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene?
1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene has a molecular weight of 364.44 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[prop-2-enoxy-(2,3,4-trimethoxyphenyl)methyl]naphthalene is sourced from PubChem (CID 162665688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).