[(2R,3S)-3-methylpentan-2-yl]benzene

C12H18 — CID 142488362

IUPAC[(2R,3S)-3-methylpentan-2-yl]benzene
SMILESCC[C@H](C)[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18/c1-4-10(2)11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/t10-,11+/m0/s1
InChIKeyWWGWFLQSPITNPJ-WDEREUQCSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds3

About [(2R,3S)-3-methylpentan-2-yl]benzene

[(2R,3S)-3-methylpentan-2-yl]benzene (PubChem CID 142488362) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is [(2R,3S)-3-methylpentan-2-yl]benzene.

Molecular Properties

Compound Name[(2R,3S)-3-methylpentan-2-yl]benzene
PubChem CID142488362
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name[(2R,3S)-3-methylpentan-2-yl]benzene
SMILESCC[C@H](C)[C@@H](C)c1ccccc1
InChIInChI=1S/C12H18/c1-4-10(2)11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/t10-,11+/m0/s1
InChIKeyWWGWFLQSPITNPJ-WDEREUQCSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-iodo-3-methylbutan-2-yl)benzene
CID 121265066
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
3-methyl-5-phenylheptan-4-amine
CID 105017445
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
(2S)-3-phenylpentan-2-ol
CID 45048673
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
1,1-diphenylpropan-2-ylbenzene
CID 3664636
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
4-(3-methylpentan-2-yl)benzamide
CID 126657369
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-methylpentan-2-yl]benzene?
The IUPAC name of [(2R,3S)-3-methylpentan-2-yl]benzene (CID 142488362) is [(2R,3S)-3-methylpentan-2-yl]benzene.
What is the SMILES notation for [(2R,3S)-3-methylpentan-2-yl]benzene?
The canonical SMILES for [(2R,3S)-3-methylpentan-2-yl]benzene is CC[C@H](C)[C@@H](C)c1ccccc1.
What is the InChIKey of [(2R,3S)-3-methylpentan-2-yl]benzene?
The InChIKey is WWGWFLQSPITNPJ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18/c1-4-10(2)11(3)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of [(2R,3S)-3-methylpentan-2-yl]benzene?
[(2R,3S)-3-methylpentan-2-yl]benzene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-methylpentan-2-yl]benzene is sourced from PubChem (CID 142488362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).