3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one

C20H19BrO3 — CID 4533343

IUPAC3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2cc1OC
InChIInChI=1S/C20H19BrO3/c1-4-5-14-10-16-18(11-17(14)23-3)24-12(2)19(20(16)22)13-6-8-15(21)9-7-13/h6-11H,4-5H2,1-3H3
InChIKeyGMQKUJICHPRBIQ-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.49
Rot. Bonds4

About 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one

3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one (PubChem CID 4533343) has the molecular formula C20H19BrO3 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one
PubChem CID4533343
Molecular FormulaC20H19BrO3
Molecular Weight387.27 g/mol
Exact Mass386.05
IUPAC Name3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one
SMILESCCCc1cc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2cc1OC
InChIInChI=1S/C20H19BrO3/c1-4-5-14-10-16-18(11-17(14)23-3)24-12(2)19(20(16)22)13-6-8-15(21)9-7-13/h6-11H,4-5H2,1-3H3
InChIKeyGMQKUJICHPRBIQ-UHFFFAOYSA-N
XLogP5.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one?
The IUPAC name of 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one (CID 4533343) is 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one?
The canonical SMILES for 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one is CCCc1cc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2cc1OC.
What is the InChIKey of 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one?
The InChIKey is GMQKUJICHPRBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrO3/c1-4-5-14-10-16-18(11-17(14)23-3)24-12(2)19(20(16)22)13-6-8-15(21)9-7-13/h6-11H,4-5H2,1-3H3.
What are the key properties of 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one?
3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one has a molecular weight of 387.27 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-methoxy-2-methyl-6-propylchromen-4-one is sourced from PubChem (CID 4533343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).