[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone

C25H19BrO4 — CID 100977174

IUPAC[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc(-c3ccc(OC)cc3)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H19BrO4/c1-28-20-11-5-17(6-12-20)23-15-22(16-3-9-19(26)10-4-16)25(30-23)24(27)18-7-13-21(29-2)14-8-18/h3-15H,1-2H3
InChIKeyDPPKBUJFHDVZIX-UHFFFAOYSA-N
MW463.33 g/mol
LogP6.62
Rot. Bonds6

About [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone

[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 100977174) has the molecular formula C25H19BrO4 and a molecular weight of 463.33 g/mol. Its IUPAC name is [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone
PubChem CID100977174
Molecular FormulaC25H19BrO4
Molecular Weight463.33 g/mol
Exact Mass462.05
IUPAC Name[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc(-c3ccc(OC)cc3)cc2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H19BrO4/c1-28-20-11-5-17(6-12-20)23-15-22(16-3-9-19(26)10-4-16)25(30-23)24(27)18-7-13-21(29-2)14-8-18/h3-15H,1-2H3
InChIKeyDPPKBUJFHDVZIX-UHFFFAOYSA-N
XLogP6.62
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.33
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
ethyl 3-(4-bromophenyl)-5-(3,5-dimethylphenyl)furan-2-carboxylate
CID 24750262
3-(4-bromobenzoyl)-6-methoxychromen-2-one
CID 141458884
5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
CID 10309404
[2-(4-bromophenyl)-1-benzothiophen-3-yl]-(4-methoxyphenyl)methanone
CID 22753336
(4-bromophenyl)-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]methanone
CID 100980640
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
[3-benzoyl-4-(4-bromophenyl)-6-phenylpyran-2-ylidene]azanium
CID 102068849
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
(4-bromophenyl)-(3-hydroxy-5-methylfuran-2-yl)methanone
CID 136882732

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone (CID 100977174) is [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2oc(-c3ccc(OC)cc3)cc2-c2ccc(Br)cc2)cc1.
What is the InChIKey of [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DPPKBUJFHDVZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrO4/c1-28-20-11-5-17(6-12-20)23-15-22(16-3-9-19(26)10-4-16)25(30-23)24(27)18-7-13-21(29-2)14-8-18/h3-15H,1-2H3.
What are the key properties of [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone?
[3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 463.33 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-5-(4-methoxyphenyl)furan-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 100977174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).