6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one

C19H16BrNO4 — CID 135531248

IUPAC6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one
SMILESCOc1c(/C=N/c2ccc(C)cc2Br)c(O)cc2oc(C)cc(=O)c12
InChIInChI=1S/C19H16BrNO4/c1-10-4-5-14(13(20)6-10)21-9-12-15(22)8-17-18(19(12)24-3)16(23)7-11(2)25-17/h4-9,22H,1-3H3/b21-9+
InChIKeyDDCIMRKRNCBYKF-ZVBGSRNCSA-N
MW402.24 g/mol
LogP4.64
Rot. Bonds3

About 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one

6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one (PubChem CID 135531248) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one.

Molecular Properties

Compound Name6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one
PubChem CID135531248
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC Name6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one
SMILESCOc1c(/C=N/c2ccc(C)cc2Br)c(O)cc2oc(C)cc(=O)c12
InChIInChI=1S/C19H16BrNO4/c1-10-4-5-14(13(20)6-10)21-9-12-15(22)8-17-18(19(12)24-3)16(23)7-11(2)25-17/h4-9,22H,1-3H3/b21-9+
InChIKeyDDCIMRKRNCBYKF-ZVBGSRNCSA-N
XLogP4.64
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one
CID 136882002
benzyl N-[(Z)-(7-hydroxy-5-methoxy-2-methyl-4-oxochromen-6-yl)methylideneamino]carbamodithioate
CID 163196715
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
6-[(E)-[[5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2-ylidene]hydrazinylidene]methyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one
CID 163196741
3-[(2-bromo-4-methylphenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006199
1-[(E)-(7-hydroxy-5-methoxy-4-oxo-2-phenylchromen-6-yl)methylideneamino]-3-methylthiourea
CID 135912218
5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
CID 135496555
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-iodophenol
CID 137100162
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
4-[(2-bromo-4-methylphenyl)iminomethyl]-2-(3-methoxyphenyl)-1,3-oxazol-5-ol
CID 3307056
6-[4-(4-bromophenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-6-yl]-7-hydroxy-5-methoxy-2-methylchromen-4-one
CID 56926542

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one?
The IUPAC name of 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one (CID 135531248) is 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one.
What is the SMILES notation for 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one?
The canonical SMILES for 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one is COc1c(/C=N/c2ccc(C)cc2Br)c(O)cc2oc(C)cc(=O)c12.
What is the InChIKey of 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one?
The InChIKey is DDCIMRKRNCBYKF-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-10-4-5-14(13(20)6-10)21-9-12-15(22)8-17-18(19(12)24-3)16(23)7-11(2)25-17/h4-9,22H,1-3H3/b21-9+.
What are the key properties of 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one?
6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one has a molecular weight of 402.24 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-4-methylphenyl)iminomethyl]-7-hydroxy-5-methoxy-2-methylchromen-4-one is sourced from PubChem (CID 135531248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).