(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one

C14H15BrO2 — CID 171726859

IUPAC(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one
SMILESCC(C)C1=C[C@](C)(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C14H15BrO2/c1-9(2)12-8-14(3,17-13(12)16)10-4-6-11(15)7-5-10/h4-9H,1-3H3/t14-/m1/s1
InChIKeyCPNTZSGJTMOUSQ-CQSZACIVSA-N
MW295.18 g/mol
LogP3.80
Rot. Bonds2

About (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one

(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one (PubChem CID 171726859) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one
PubChem CID171726859
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one
SMILESCC(C)C1=C[C@](C)(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C14H15BrO2/c1-9(2)12-8-14(3,17-13(12)16)10-4-6-11(15)7-5-10/h4-9H,1-3H3/t14-/m1/s1
InChIKeyCPNTZSGJTMOUSQ-CQSZACIVSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-5-methyl-5-phenylfuran-2-one
CID 14661185
(5S)-5-[4-(4-bromophenyl)phenyl]-3,4-dihydroxy-5-methylfuran-2-one
CID 70240775
[[4-oxo-3,5-di(propan-2-yl)cyclohexa-2,5-dien-1-ylidene]amino] 4-bromobenzoate
CID 5244981
(5R)-3-butyl-5-methyl-5-phenylfuran-2-one
CID 171726862
2-(4-bromophenyl)-2-methyl-1,3-oxathiolane
CID 548298
6-(4-bromophenyl)-6-methylmorpholin-3-one
CID 117159225
methyl (2R)-2-(4-bromophenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364680
4-(4-bromophenyl)-1-methyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 67492225
(2R)-2-(4-bromophenyl)propanal
CID 39243198
2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one
CID 102262129
5-(4-bromophenyl)-5-methylpiperazine-2,3-dione
CID 116856094
2-(4-bromophenyl)-2-methyl-1,3-thiazolidin-4-one
CID 536046

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one?
The IUPAC name of (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one (CID 171726859) is (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one?
The canonical SMILES for (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one is CC(C)C1=C[C@](C)(c2ccc(Br)cc2)OC1=O.
What is the InChIKey of (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one?
The InChIKey is CPNTZSGJTMOUSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15BrO2/c1-9(2)12-8-14(3,17-13(12)16)10-4-6-11(15)7-5-10/h4-9H,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one?
(5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one has a molecular weight of 295.18 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-5-methyl-3-propan-2-ylfuran-2-one is sourced from PubChem (CID 171726859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).