2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan

C14H14Br2O — CID 79455564

IUPAC2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan
SMILESBrCC(CBr)(Cc1ccco1)c1ccccc1
InChIInChI=1S/C14H14Br2O/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyBNBNQHZRSCPGEP-UHFFFAOYSA-N
MW358.07 g/mol
LogP4.55
Rot. Bonds5

About 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan

2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan (PubChem CID 79455564) has the molecular formula C14H14Br2O and a molecular weight of 358.07 g/mol. Its IUPAC name is 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan.

Molecular Properties

Compound Name2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan
PubChem CID79455564
Molecular FormulaC14H14Br2O
Molecular Weight358.07 g/mol
Exact Mass355.94
IUPAC Name2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan
SMILESBrCC(CBr)(Cc1ccco1)c1ccccc1
InChIInChI=1S/C14H14Br2O/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyBNBNQHZRSCPGEP-UHFFFAOYSA-N
XLogP4.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.07
LogP ≤ 54.55
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-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]furan
CID 79455489
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
2-(2,2,2-trifluoroethyl)furan
CID 67627445
2-(2,2-difluoro-3-phenylpropyl)furan
CID 177407030
2-(furan-2-ylmethyl)-2-(3-methylphenyl)propane-1,3-diol
CID 79450066
1-(furan-2-yl)-3-methyl-3-phenylbutan-2-ol
CID 83172363
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
CID 65392790
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 10968377
[1-(furan-2-yl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216401
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-difluorobenzene
CID 79455643

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan?
The IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan (CID 79455564) is 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan.
What is the SMILES notation for 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan?
The canonical SMILES for 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan is BrCC(CBr)(Cc1ccco1)c1ccccc1.
What is the InChIKey of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan?
The InChIKey is BNBNQHZRSCPGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2O/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan?
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan has a molecular weight of 358.07 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]furan is sourced from PubChem (CID 79455564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).