(3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

C18H21NO6 — CID 54754342

IUPAC(3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1N
InChIInChI=1S/C18H21NO6/c1-21-12-7-6-11(17(24-4)15(12)19)16(20)10-8-13(22-2)18(25-5)14(9-10)23-3/h6-9H,19H2,1-5H3
InChIKeyUEMPXZCITMAXQN-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.54
Rot. Bonds7

About (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone

(3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 54754342) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID54754342
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1N
InChIInChI=1S/C18H21NO6/c1-21-12-7-6-11(17(24-4)15(12)19)16(20)10-8-13(22-2)18(25-5)14(9-10)23-3/h6-9H,19H2,1-5H3
InChIKeyUEMPXZCITMAXQN-UHFFFAOYSA-N
XLogP2.54
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 54754342) is (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1N.
What is the InChIKey of (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UEMPXZCITMAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-21-12-7-6-11(17(24-4)15(12)19)16(20)10-8-13(22-2)18(25-5)14(9-10)23-3/h6-9H,19H2,1-5H3.
What are the key properties of (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 347.37 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 54754342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).