2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one

C16H12ClNO2 — CID 82046648

IUPAC2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one
SMILESCc1ccc2c(=O)cc(-c3cc(N)ccc3Cl)oc2c1
InChIInChI=1S/C16H12ClNO2/c1-9-2-4-11-14(19)8-16(20-15(11)6-9)12-7-10(18)3-5-13(12)17/h2-8H,18H2,1H3
InChIKeyAGEJIGGTRZKSIL-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.00
Rot. Bonds1

About 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one

2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one (PubChem CID 82046648) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one
PubChem CID82046648
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one
SMILESCc1ccc2c(=O)cc(-c3cc(N)ccc3Cl)oc2c1
InChIInChI=1S/C16H12ClNO2/c1-9-2-4-11-14(19)8-16(20-15(11)6-9)12-7-10(18)3-5-13(12)17/h2-8H,18H2,1H3
InChIKeyAGEJIGGTRZKSIL-UHFFFAOYSA-N
XLogP4.00
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.00
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

2-(5-amino-2-chlorophenyl)-6,7-dimethylchromen-4-one
CID 82046653
2-(5-amino-2-chlorophenyl)-7-ethylchromen-4-one
CID 82046651
7-methyl-2-(2-methylphenyl)chromen-4-one
CID 4038144
2,7-dimethylchromen-4-one
CID 2343140
2-(4-aminophenyl)-6-methylchromen-4-one
CID 10999496
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
CID 2017751
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
9-(4-amino-2-methylphenyl)-2,7-dichloro-6-hydroxyxanthen-3-one
CID 142434418
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
2-(difluoromethyl)-7-methylchromen-4-one
CID 691249
3-(5-amino-2-chlorophenyl)-4-chloroaniline
CID 67542413
3-(7-methyl-4-oxochromen-2-yl)benzoic acid
CID 82043714

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one?
The IUPAC name of 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one (CID 82046648) is 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one is Cc1ccc2c(=O)cc(-c3cc(N)ccc3Cl)oc2c1.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one?
The InChIKey is AGEJIGGTRZKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-9-2-4-11-14(19)8-16(20-15(11)6-9)12-7-10(18)3-5-13(12)17/h2-8H,18H2,1H3.
What are the key properties of 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one?
2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one has a molecular weight of 285.73 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)-7-methylchromen-4-one is sourced from PubChem (CID 82046648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).