2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol

C20H23NO3 — CID 11056452

IUPAC2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C=CC(C)(COc1ccc(N)cc1)O2
InChIInChI=1S/C20H23NO3/c1-12-13(2)19-17(14(3)18(12)22)9-10-20(4,24-19)11-23-16-7-5-15(21)6-8-16/h5-10,22H,11,21H2,1-4H3
InChIKeyPKLRNGRBVZGAPH-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.14
Rot. Bonds3

About 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol

2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol (PubChem CID 11056452) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol.

Molecular Properties

Compound Name2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol
PubChem CID11056452
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)C=CC(C)(COc1ccc(N)cc1)O2
InChIInChI=1S/C20H23NO3/c1-12-13(2)19-17(14(3)18(12)22)9-10-20(4,24-19)11-23-16-7-5-15(21)6-8-16/h5-10,22H,11,21H2,1-4H3
InChIKeyPKLRNGRBVZGAPH-UHFFFAOYSA-N
XLogP4.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol?
The IUPAC name of 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol (CID 11056452) is 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol.
What is the SMILES notation for 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol?
The canonical SMILES for 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol is Cc1c(C)c2c(c(C)c1O)C=CC(C)(COc1ccc(N)cc1)O2.
What is the InChIKey of 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol?
The InChIKey is PKLRNGRBVZGAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-12-13(2)19-17(14(3)18(12)22)9-10-20(4,24-19)11-23-16-7-5-15(21)6-8-16/h5-10,22H,11,21H2,1-4H3.
What are the key properties of 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol?
2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol has a molecular weight of 325.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenoxy)methyl]-2,5,7,8-tetramethylchromen-6-ol is sourced from PubChem (CID 11056452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).