1-methoxy-4-[(2R)-2-phenylpropyl]benzene

C16H18O — CID 69111235

IUPAC1-methoxy-4-[(2R)-2-phenylpropyl]benzene
SMILESCOc1ccc(C[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H18O/c1-13(15-6-4-3-5-7-15)12-14-8-10-16(17-2)11-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyIQSFIQBFKOSVED-CYBMUJFWSA-N
MW226.32 g/mol
LogP4.04
Rot. Bonds4

About 1-methoxy-4-[(2R)-2-phenylpropyl]benzene

1-methoxy-4-[(2R)-2-phenylpropyl]benzene (PubChem CID 69111235) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methoxy-4-[(2R)-2-phenylpropyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(2R)-2-phenylpropyl]benzene
PubChem CID69111235
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methoxy-4-[(2R)-2-phenylpropyl]benzene
SMILESCOc1ccc(C[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H18O/c1-13(15-6-4-3-5-7-15)12-14-8-10-16(17-2)11-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyIQSFIQBFKOSVED-CYBMUJFWSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
bis[4-[(2R)-2-phenylpropyl]phenyl] carbonate
CID 166745079
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
CID 139809698
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2R)-2-phenylpropyl]benzene?
The IUPAC name of 1-methoxy-4-[(2R)-2-phenylpropyl]benzene (CID 69111235) is 1-methoxy-4-[(2R)-2-phenylpropyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(2R)-2-phenylpropyl]benzene?
The canonical SMILES for 1-methoxy-4-[(2R)-2-phenylpropyl]benzene is COc1ccc(C[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(2R)-2-phenylpropyl]benzene?
The InChIKey is IQSFIQBFKOSVED-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18O/c1-13(15-6-4-3-5-7-15)12-14-8-10-16(17-2)11-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-methoxy-4-[(2R)-2-phenylpropyl]benzene?
1-methoxy-4-[(2R)-2-phenylpropyl]benzene has a molecular weight of 226.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2R)-2-phenylpropyl]benzene is sourced from PubChem (CID 69111235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).