7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene

C22H17BrO — CID 138570323

IUPAC7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene
SMILESCc1cccc(-c2cccc(C3=CCc4ccc(Br)cc4O3)c2)c1
InChIInChI=1S/C22H17BrO/c1-15-4-2-5-17(12-15)18-6-3-7-19(13-18)21-11-9-16-8-10-20(23)14-22(16)24-21/h2-8,10-14H,9H2,1H3
InChIKeyKFWBYEAVZIXHIK-UHFFFAOYSA-N
MW377.28 g/mol
LogP6.40
Rot. Bonds2

About 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene

7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene (PubChem CID 138570323) has the molecular formula C22H17BrO and a molecular weight of 377.28 g/mol. Its IUPAC name is 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene.

Molecular Properties

Compound Name7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene
PubChem CID138570323
Molecular FormulaC22H17BrO
Molecular Weight377.28 g/mol
Exact Mass376.05
IUPAC Name7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene
SMILESCc1cccc(-c2cccc(C3=CCc4ccc(Br)cc4O3)c2)c1
InChIInChI=1S/C22H17BrO/c1-15-4-2-5-17(12-15)18-6-3-7-19(13-18)21-11-9-16-8-10-20(23)14-22(16)24-21/h2-8,10-14H,9H2,1H3
InChIKeyKFWBYEAVZIXHIK-UHFFFAOYSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
6-[3-(3-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166448296
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene?
The IUPAC name of 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene (CID 138570323) is 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene.
What is the SMILES notation for 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene?
The canonical SMILES for 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene is Cc1cccc(-c2cccc(C3=CCc4ccc(Br)cc4O3)c2)c1.
What is the InChIKey of 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene?
The InChIKey is KFWBYEAVZIXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrO/c1-15-4-2-5-17(12-15)18-6-3-7-19(13-18)21-11-9-16-8-10-20(23)14-22(16)24-21/h2-8,10-14H,9H2,1H3.
What are the key properties of 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene?
7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene has a molecular weight of 377.28 g/mol, XLogP of 6.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[3-(3-methylphenyl)phenyl]-4H-chromene is sourced from PubChem (CID 138570323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).