1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene

C18H22O3 — CID 141165604

IUPAC1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene
SMILESCOC[C@H](C)Oc1cccc(OCc2ccccc2C)c1
InChIInChI=1S/C18H22O3/c1-14-7-4-5-8-16(14)13-20-17-9-6-10-18(11-17)21-15(2)12-19-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyQAWYEABDMHVYEC-HNNXBMFYSA-N
MW286.37 g/mol
LogP3.99
Rot. Bonds7

About 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene

1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene (PubChem CID 141165604) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene
PubChem CID141165604
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene
SMILESCOC[C@H](C)Oc1cccc(OCc2ccccc2C)c1
InChIInChI=1S/C18H22O3/c1-14-7-4-5-8-16(14)13-20-17-9-6-10-18(11-17)21-15(2)12-19-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyQAWYEABDMHVYEC-HNNXBMFYSA-N
XLogP3.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1-methoxypropan-2-yloxy)-5-[(2-methylphenyl)methoxy]benzoate
CID 71021525
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
CID 120703020
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[3,5-bis[(2-methylphenyl)methoxy]phenyl]ethanone
CID 142213591
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene (CID 141165604) is 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene is COC[C@H](C)Oc1cccc(OCc2ccccc2C)c1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene?
The InChIKey is QAWYEABDMHVYEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22O3/c1-14-7-4-5-8-16(14)13-20-17-9-6-10-18(11-17)21-15(2)12-19-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene?
1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene has a molecular weight of 286.37 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]oxy-3-[(2-methylphenyl)methoxy]benzene is sourced from PubChem (CID 141165604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).