[(2R)-2-methoxy-1-phenylpropyl]benzene

C16H18O — CID 101223865

IUPAC[(2R)-2-methoxy-1-phenylpropyl]benzene
SMILESCO[C@H](C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-/m1/s1
InChIKeyBMBZTPUEGVQLCI-CYBMUJFWSA-N
MW226.32 g/mol
LogP3.85
Rot. Bonds4

About [(2R)-2-methoxy-1-phenylpropyl]benzene

[(2R)-2-methoxy-1-phenylpropyl]benzene (PubChem CID 101223865) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2R)-2-methoxy-1-phenylpropyl]benzene.

Molecular Properties

Compound Name[(2R)-2-methoxy-1-phenylpropyl]benzene
PubChem CID101223865
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name[(2R)-2-methoxy-1-phenylpropyl]benzene
SMILESCO[C@H](C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18O/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-/m1/s1
InChIKeyBMBZTPUEGVQLCI-CYBMUJFWSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R,3R)-1,3-dimethoxy-1-phenylbutan-2-yl]benzene
CID 10400953
1,1-diphenylpropan-2-ylbenzene
CID 3664636
dilithium;hydride;(2-methyl-1,3,3-triphenylpropyl)benzene
CID 173113616
[(1R,2S)-1-(4-methylphenyl)-1-phenylpropan-2-yl] (2S)-2-aminopropanoate
CID 121463946
methyl 2-methyl-3,3-diphenylpropanoate
CID 14089584
methoxy-methyl-diphenylphosphanium
CID 23415298
[3-methoxy-2-(methoxymethyl)-1-phenylpropyl]benzene
CID 22140522
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918
propan-2-ylcyclodecapentaene
CID 123508933
cumene
CID 161227923

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methoxy-1-phenylpropyl]benzene?
The IUPAC name of [(2R)-2-methoxy-1-phenylpropyl]benzene (CID 101223865) is [(2R)-2-methoxy-1-phenylpropyl]benzene.
What is the SMILES notation for [(2R)-2-methoxy-1-phenylpropyl]benzene?
The canonical SMILES for [(2R)-2-methoxy-1-phenylpropyl]benzene is CO[C@H](C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-methoxy-1-phenylpropyl]benzene?
The InChIKey is BMBZTPUEGVQLCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18O/c1-13(17-2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16H,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-methoxy-1-phenylpropyl]benzene?
[(2R)-2-methoxy-1-phenylpropyl]benzene has a molecular weight of 226.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methoxy-1-phenylpropyl]benzene is sourced from PubChem (CID 101223865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).