7-amino-2-(4-tert-butylphenyl)chromen-4-one

C19H19NO2 — CID 16825936

IUPAC7-amino-2-(4-tert-butylphenyl)chromen-4-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)c3ccc(N)cc3o2)cc1
InChIInChI=1S/C19H19NO2/c1-19(2,3)13-6-4-12(5-7-13)17-11-16(21)15-9-8-14(20)10-18(15)22-17/h4-11H,20H2,1-3H3
InChIKeyTZWUZWVJKGJGDP-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.34
Rot. Bonds1

About 7-amino-2-(4-tert-butylphenyl)chromen-4-one

7-amino-2-(4-tert-butylphenyl)chromen-4-one (PubChem CID 16825936) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-amino-2-(4-tert-butylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-amino-2-(4-tert-butylphenyl)chromen-4-one
PubChem CID16825936
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name7-amino-2-(4-tert-butylphenyl)chromen-4-one
SMILESCC(C)(C)c1ccc(-c2cc(=O)c3ccc(N)cc3o2)cc1
InChIInChI=1S/C19H19NO2/c1-19(2,3)13-6-4-12(5-7-13)17-11-16(21)15-9-8-14(20)10-18(15)22-17/h4-11H,20H2,1-3H3
InChIKeyTZWUZWVJKGJGDP-UHFFFAOYSA-N
XLogP4.34
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 9929799
5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
3,6-Diamino-9-(2-(methoxycarbonyl)phenyl)xanthylium chloride
CID 65217
Rhodamine 123 free base
CID 65218
3-(4-Amino-2-methoxyphenyl)-2H-1-benzopyran-2-one
CID 736324
1-[4-[5-(4-Guanidino-2-methoxy-phenyl)-2-furyl]-3-methoxy-phenyl]guanidine
CID 487975
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-aminophenyl)-6-fluorochromen-4-one
CID 10683448
5-Amino-2-(4-aminophenyl)-8-fluorochromen-4-one
CID 10754491

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(4-tert-butylphenyl)chromen-4-one?
The IUPAC name of 7-amino-2-(4-tert-butylphenyl)chromen-4-one (CID 16825936) is 7-amino-2-(4-tert-butylphenyl)chromen-4-one.
What is the SMILES notation for 7-amino-2-(4-tert-butylphenyl)chromen-4-one?
The canonical SMILES for 7-amino-2-(4-tert-butylphenyl)chromen-4-one is CC(C)(C)c1ccc(-c2cc(=O)c3ccc(N)cc3o2)cc1.
What is the InChIKey of 7-amino-2-(4-tert-butylphenyl)chromen-4-one?
The InChIKey is TZWUZWVJKGJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2,3)13-6-4-12(5-7-13)17-11-16(21)15-9-8-14(20)10-18(15)22-17/h4-11H,20H2,1-3H3.
What are the key properties of 7-amino-2-(4-tert-butylphenyl)chromen-4-one?
7-amino-2-(4-tert-butylphenyl)chromen-4-one has a molecular weight of 293.37 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(4-tert-butylphenyl)chromen-4-one is sourced from PubChem (CID 16825936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).