[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol

C19H24INO6 — CID 126606770

IUPAC[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol
SMILESCNc1c(OC)ccc(C(O)(I)c2ccc(OC)c(OC)c2OC)c1OC
InChIInChI=1S/C19H24INO6/c1-21-15-13(23-2)9-7-11(16(15)25-4)19(20,22)12-8-10-14(24-3)18(27-6)17(12)26-5/h7-10,21-22H,1-6H3
InChIKeyDWKWDIKYQVWFDN-UHFFFAOYSA-N
MW489.31 g/mol
LogP3.40
Rot. Bonds8

About [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol

[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol (PubChem CID 126606770) has the molecular formula C19H24INO6 and a molecular weight of 489.31 g/mol. Its IUPAC name is [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol
PubChem CID126606770
Molecular FormulaC19H24INO6
Molecular Weight489.31 g/mol
Exact Mass489.06
IUPAC Name[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol
SMILESCNc1c(OC)ccc(C(O)(I)c2ccc(OC)c(OC)c2OC)c1OC
InChIInChI=1S/C19H24INO6/c1-21-15-13(23-2)9-7-11(16(15)25-4)19(20,22)12-8-10-14(24-3)18(27-6)17(12)26-5/h7-10,21-22H,1-6H3
InChIKeyDWKWDIKYQVWFDN-UHFFFAOYSA-N
XLogP3.40
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol?
The IUPAC name of [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol (CID 126606770) is [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol.
What is the SMILES notation for [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol?
The canonical SMILES for [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol is CNc1c(OC)ccc(C(O)(I)c2ccc(OC)c(OC)c2OC)c1OC.
What is the InChIKey of [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol?
The InChIKey is DWKWDIKYQVWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24INO6/c1-21-15-13(23-2)9-7-11(16(15)25-4)19(20,22)12-8-10-14(24-3)18(27-6)17(12)26-5/h7-10,21-22H,1-6H3.
What are the key properties of [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol?
[2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol has a molecular weight of 489.31 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dimethoxy-3-(methylamino)phenyl]-iodo-(2,3,4-trimethoxyphenyl)methanol is sourced from PubChem (CID 126606770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).