6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one

C20H16BrNO3 — CID 11632677

IUPAC6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCOc1ccc(C(=O)n2c3c(c4cc(Br)ccc42)CCCC3=O)cc1
InChIInChI=1S/C20H16BrNO3/c1-25-14-8-5-12(6-9-14)20(24)22-17-10-7-13(21)11-16(17)15-3-2-4-18(23)19(15)22/h5-11H,2-4H2,1H3
InChIKeyRYVZWHHUZJMQDX-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.62
Rot. Bonds2

About 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one

6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one (PubChem CID 11632677) has the molecular formula C20H16BrNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one
PubChem CID11632677
Molecular FormulaC20H16BrNO3
Molecular Weight398.26 g/mol
Exact Mass397.03
IUPAC Name6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one
SMILESCOc1ccc(C(=O)n2c3c(c4cc(Br)ccc42)CCCC3=O)cc1
InChIInChI=1S/C20H16BrNO3/c1-25-14-8-5-12(6-9-14)20(24)22-17-10-7-13(21)11-16(17)15-3-2-4-18(23)19(15)22/h5-11H,2-4H2,1H3
InChIKeyRYVZWHHUZJMQDX-UHFFFAOYSA-N
XLogP4.62
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one (CID 11632677) is 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one is COc1ccc(C(=O)n2c3c(c4cc(Br)ccc42)CCCC3=O)cc1.
What is the InChIKey of 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is RYVZWHHUZJMQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO3/c1-25-14-8-5-12(6-9-14)20(24)22-17-10-7-13(21)11-16(17)15-3-2-4-18(23)19(15)22/h5-11H,2-4H2,1H3.
What are the key properties of 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one?
6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 398.26 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 11632677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).