4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one

C17H12BrClO3 — CID 59840785

IUPAC4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
SMILESO=C1OCC(c2cc(Cl)ccc2OCc2ccccc2)=C1Br
InChIInChI=1S/C17H12BrClO3/c18-16-14(10-22-17(16)20)13-8-12(19)6-7-15(13)21-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyTVHJCJGNCWOSQY-UHFFFAOYSA-N
MW379.64 g/mol
LogP4.58
Rot. Bonds4

About 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one

4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one (PubChem CID 59840785) has the molecular formula C17H12BrClO3 and a molecular weight of 379.64 g/mol. Its IUPAC name is 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
PubChem CID59840785
Molecular FormulaC17H12BrClO3
Molecular Weight379.64 g/mol
Exact Mass377.97
IUPAC Name4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
SMILESO=C1OCC(c2cc(Cl)ccc2OCc2ccccc2)=C1Br
InChIInChI=1S/C17H12BrClO3/c18-16-14(10-22-17(16)20)13-8-12(19)6-7-15(13)21-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyTVHJCJGNCWOSQY-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(5-chloro-2-phenylmethoxyphenyl)-5-oxo-2H-furan-4-yl]benzoic acid
CID 11154379
2-(2-bromophenyl)-4-chloro-1-phenylmethoxybenzene
CID 69309413
3-(4-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one
CID 23463125
2-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine
CID 70971545
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
2-[2-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]cyclopenten-1-yl]pyridine
CID 91031962
5-chloro-3-[(2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 4679336
3-[5-(5-chloro-2-phenylmethoxyphenyl)imidazol-1-yl]pyridine
CID 70926048

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
The IUPAC name of 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one (CID 59840785) is 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
The canonical SMILES for 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one is O=C1OCC(c2cc(Cl)ccc2OCc2ccccc2)=C1Br.
What is the InChIKey of 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
The InChIKey is TVHJCJGNCWOSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClO3/c18-16-14(10-22-17(16)20)13-8-12(19)6-7-15(13)21-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one?
4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one has a molecular weight of 379.64 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(5-chloro-2-phenylmethoxyphenyl)-2H-furan-5-one is sourced from PubChem (CID 59840785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).