9-bromo-3-methylbenzo[c]chromen-6-one

C14H9BrO2 — CID 167533564

IUPAC9-bromo-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1ccc(Br)cc12
InChIInChI=1S/C14H9BrO2/c1-8-2-4-10-12-7-9(15)3-5-11(12)14(16)17-13(10)6-8/h2-7H,1H3
InChIKeyAHCSEHLQGBWWAH-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.02
Rot. Bonds

About 9-bromo-3-methylbenzo[c]chromen-6-one

9-bromo-3-methylbenzo[c]chromen-6-one (PubChem CID 167533564) has the molecular formula C14H9BrO2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 9-bromo-3-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name9-bromo-3-methylbenzo[c]chromen-6-one
PubChem CID167533564
Molecular FormulaC14H9BrO2
Molecular Weight289.13 g/mol
Exact Mass287.98
IUPAC Name9-bromo-3-methylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1ccc(Br)cc12
InChIInChI=1S/C14H9BrO2/c1-8-2-4-10-12-7-9(15)3-5-11(12)14(16)17-13(10)6-8/h2-7H,1H3
InChIKeyAHCSEHLQGBWWAH-UHFFFAOYSA-N
XLogP4.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-bromo-2-methyldibenzofuran
CID 142427198
9-bromo-2-tert-butylbenzo[c]chromen-6-one
CID 102428910
2-bromo-7-methylxanthen-9-one;ethane
CID 143958066
8-bromo-3-methylbenzo[c]chromen-6-one;1-ethynylcyclobutan-1-ol;8-[2-(1-hydroxycyclobutyl)ethynyl]-3-methylbenzo[c]chromen-6-one;3-hydroxy-8-[2-(1-hydroxycyclobutyl)ethynyl]benzo[c]chromen-6-one
CID 167638745
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
8-(2-hydroxyethoxy)-3-methylbenzo[c]chromen-6-one
CID 167621734
4-chloro-7-methyl-2-oxochromene-3-carbaldehyde
CID 15372644
N-(8-methyl-6-oxobenzo[c]chromen-3-yl)methanesulfonamide
CID 167635607
3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
CID 167635603
8-methylchromeno[4,3-b]pyridin-5-one
CID 159288249
7,9-dihydroxy-3-methylbenzo[c]chromen-6-one
CID 167630896

Frequently Asked Questions

What is the IUPAC name of 9-bromo-3-methylbenzo[c]chromen-6-one?
The IUPAC name of 9-bromo-3-methylbenzo[c]chromen-6-one (CID 167533564) is 9-bromo-3-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 9-bromo-3-methylbenzo[c]chromen-6-one?
The canonical SMILES for 9-bromo-3-methylbenzo[c]chromen-6-one is Cc1ccc2c(c1)oc(=O)c1ccc(Br)cc12.
What is the InChIKey of 9-bromo-3-methylbenzo[c]chromen-6-one?
The InChIKey is AHCSEHLQGBWWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO2/c1-8-2-4-10-12-7-9(15)3-5-11(12)14(16)17-13(10)6-8/h2-7H,1H3.
What are the key properties of 9-bromo-3-methylbenzo[c]chromen-6-one?
9-bromo-3-methylbenzo[c]chromen-6-one has a molecular weight of 289.13 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 167533564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).