3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one

C20H15BrO3 — CID 10691352

IUPAC3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
SMILESCOc1c(Br)cccc1C1CC(=O)c2c(ccc3ccccc23)O1
InChIInChI=1S/C20H15BrO3/c1-23-20-14(7-4-8-15(20)21)18-11-16(22)19-13-6-3-2-5-12(13)9-10-17(19)24-18/h2-10,18H,11H2,1H3
InChIKeyJOFJVHRYKNFMCN-UHFFFAOYSA-N
MW383.24 g/mol
LogP5.32
Rot. Bonds2

About 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one

3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one (PubChem CID 10691352) has the molecular formula C20H15BrO3 and a molecular weight of 383.24 g/mol. Its IUPAC name is 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
PubChem CID10691352
Molecular FormulaC20H15BrO3
Molecular Weight383.24 g/mol
Exact Mass382.02
IUPAC Name3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
SMILESCOc1c(Br)cccc1C1CC(=O)c2c(ccc3ccccc23)O1
InChIInChI=1S/C20H15BrO3/c1-23-20-14(7-4-8-15(20)21)18-11-16(22)19-13-6-3-2-5-12(13)9-10-17(19)24-18/h2-10,18H,11H2,1H3
InChIKeyJOFJVHRYKNFMCN-UHFFFAOYSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one
CID 102367587
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 139122410
5-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 157023353
2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 85087212
(2R)-2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-one
CID 129388523
(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 163151559
(2R)-2-(2,3-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 688727
7-bromo-6-methoxybenzo[7]annulen-5-one
CID 121010887
7-amino-2-(2,3-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 82046281
N-(2-bromophenyl)-3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)benzamide
CID 155815499

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
The IUPAC name of 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one (CID 10691352) is 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one.
What is the SMILES notation for 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
The canonical SMILES for 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one is COc1c(Br)cccc1C1CC(=O)c2c(ccc3ccccc23)O1.
What is the InChIKey of 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
The InChIKey is JOFJVHRYKNFMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrO3/c1-23-20-14(7-4-8-15(20)21)18-11-16(22)19-13-6-3-2-5-12(13)9-10-17(19)24-18/h2-10,18H,11H2,1H3.
What are the key properties of 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one?
3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one has a molecular weight of 383.24 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-methoxyphenyl)-2,3-dihydrobenzo[f]chromen-1-one is sourced from PubChem (CID 10691352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).