5-(4-bromophenyl)-3-methyl-2-phenylfuran

C17H13BrO — CID 132549906

IUPAC5-(4-bromophenyl)-3-methyl-2-phenylfuran
SMILESCc1cc(-c2ccc(Br)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H13BrO/c1-12-11-16(13-7-9-15(18)10-8-13)19-17(12)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyHKBVDSBLQSAQOF-UHFFFAOYSA-N
MW313.19 g/mol
LogP5.68
Rot. Bonds2

About 5-(4-bromophenyl)-3-methyl-2-phenylfuran

5-(4-bromophenyl)-3-methyl-2-phenylfuran (PubChem CID 132549906) has the molecular formula C17H13BrO and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-2-phenylfuran.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-2-phenylfuran
PubChem CID132549906
Molecular FormulaC17H13BrO
Molecular Weight313.19 g/mol
Exact Mass312.01
IUPAC Name5-(4-bromophenyl)-3-methyl-2-phenylfuran
SMILESCc1cc(-c2ccc(Br)cc2)oc1-c1ccccc1
InChIInChI=1S/C17H13BrO/c1-12-11-16(13-7-9-15(18)10-8-13)19-17(12)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyHKBVDSBLQSAQOF-UHFFFAOYSA-N
XLogP5.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.19
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-bromophenyl)-2,3-bis(4-methylphenyl)furan
CID 71317707
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2-(4-bromophenyl)-6-methylpyran-4-one
CID 101175754
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
6,8-dimethyl-2-phenylchromen-7-one
CID 57182675
5-(4-methoxyphenyl)-2,3-diphenylfuran
CID 2733040
5-bromo-4-methyl-6-phenylpyran-2-one
CID 121010886
5-bromo-1,3-diphenyl-2-benzofuran
CID 71084545
2-(4-bromophenyl)-7-methyl-1-benzofuran-3-carboxylic acid
CID 71266573
5-(4-bromophenyl)-2-(4-phenylphenyl)-1,3-oxazole
CID 71327927
4,5-bis(4-bromophenyl)-2-phenyl-1,3-oxazole
CID 71740991

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-2-phenylfuran?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-2-phenylfuran (CID 132549906) is 5-(4-bromophenyl)-3-methyl-2-phenylfuran.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-2-phenylfuran?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-2-phenylfuran is Cc1cc(-c2ccc(Br)cc2)oc1-c1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-2-phenylfuran?
The InChIKey is HKBVDSBLQSAQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO/c1-12-11-16(13-7-9-15(18)10-8-13)19-17(12)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 5-(4-bromophenyl)-3-methyl-2-phenylfuran?
5-(4-bromophenyl)-3-methyl-2-phenylfuran has a molecular weight of 313.19 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-2-phenylfuran is sourced from PubChem (CID 132549906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).