2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran

C12H10BrClO — CID 61086501

IUPAC2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran
SMILESCc1ccc(C(Br)c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H10BrClO/c1-8-2-7-11(15-8)12(13)9-3-5-10(14)6-4-9/h2-7,12H,1H3
InChIKeyOUUURNOJOWRVBB-UHFFFAOYSA-N
MW285.57 g/mol
LogP4.73
Rot. Bonds2

About 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran

2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran (PubChem CID 61086501) has the molecular formula C12H10BrClO and a molecular weight of 285.57 g/mol. Its IUPAC name is 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran
PubChem CID61086501
Molecular FormulaC12H10BrClO
Molecular Weight285.57 g/mol
Exact Mass283.96
IUPAC Name2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran
SMILESCc1ccc(C(Br)c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H10BrClO/c1-8-2-7-11(15-8)12(13)9-3-5-10(14)6-4-9/h2-7,12H,1H3
InChIKeyOUUURNOJOWRVBB-UHFFFAOYSA-N
XLogP4.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[bromo-(4-phenoxyphenyl)methyl]-5-methylfuran
CID 63437977
2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
CID 106689046
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]-(5-methylfuran-2-yl)methyl]-5-methylfuran
CID 2751428
(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
CID 97056665
2-[bromo-(4-ethoxyphenyl)methyl]-5-chlorofuran
CID 106689052
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
CID 106689080
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
CID 91656275
1-chloro-4-(dibromomethyl)benzene
CID 3017302
5-[bromo-(5-methylfuran-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500932

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran?
The IUPAC name of 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran (CID 61086501) is 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran?
The canonical SMILES for 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran is Cc1ccc(C(Br)c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran?
The InChIKey is OUUURNOJOWRVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClO/c1-8-2-7-11(15-8)12(13)9-3-5-10(14)6-4-9/h2-7,12H,1H3.
What are the key properties of 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran?
2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran has a molecular weight of 285.57 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-chlorophenyl)methyl]-5-methylfuran is sourced from PubChem (CID 61086501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).