1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene

C20H26O — CID 155096208

IUPAC1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
SMILESCC[C@@H](C)c1cccc(CC(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H26O/c1-5-15(2)19-8-6-7-17(14-19)13-16(3)18-9-11-20(21-4)12-10-18/h6-12,14-16H,5,13H2,1-4H3/t15-,16?/m1/s1
InChIKeyGTAOQCROCWZKJH-AAFJCEBUSA-N
MW282.43 g/mol
LogP5.55
Rot. Bonds6

About 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene

1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene (PubChem CID 155096208) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
PubChem CID155096208
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
SMILESCC[C@@H](C)c1cccc(CC(C)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H26O/c1-5-15(2)19-8-6-7-17(14-19)13-16(3)18-9-11-20(21-4)12-10-18/h6-12,14-16H,5,13H2,1-4H3/t15-,16?/m1/s1
InChIKeyGTAOQCROCWZKJH-AAFJCEBUSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-bromo-2-(4-butan-2-ylphenyl)ethyl]-3-methoxybenzene
CID 63438806
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
1-butan-2-yl-3-ethylbenzene
CID 528681
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
CID 123964762
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-(4-butan-2-ylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43337811
4-N-(4-butan-2-ylphenyl)-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 122451360
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
1-benzyl-3-butan-2-ylbenzene
CID 15748559
1-butan-2-yl-4-[1-chloro-2-(3-chlorophenyl)ethyl]benzene
CID 63429914

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene (CID 155096208) is 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene is CC[C@@H](C)c1cccc(CC(C)c2ccc(OC)cc2)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene?
The InChIKey is GTAOQCROCWZKJH-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H26O/c1-5-15(2)19-8-6-7-17(14-19)13-16(3)18-9-11-20(21-4)12-10-18/h6-12,14-16H,5,13H2,1-4H3/t15-,16?/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene?
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene has a molecular weight of 282.43 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene is sourced from PubChem (CID 155096208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).