(2-methyl-2-phenylmethoxypropyl)benzene

C17H20O — CID 86203864

IUPAC(2-methyl-2-phenylmethoxypropyl)benzene
SMILESCC(C)(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20O/c1-17(2,13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyXHYLLLDWNSQBLH-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.22
Rot. Bonds5

About (2-methyl-2-phenylmethoxypropyl)benzene

(2-methyl-2-phenylmethoxypropyl)benzene (PubChem CID 86203864) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-methyl-2-phenylmethoxypropyl)benzene.

Molecular Properties

Compound Name(2-methyl-2-phenylmethoxypropyl)benzene
PubChem CID86203864
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(2-methyl-2-phenylmethoxypropyl)benzene
SMILESCC(C)(Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H20O/c1-17(2,13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyXHYLLLDWNSQBLH-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
(2-methoxy-2-methylpropyl)benzene
CID 3842751
2-methylhexan-2-yloxymethylbenzene
CID 134222440
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
2,4,4,6,6-pentamethylheptan-2-yloxymethylbenzene
CID 164583804
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-1-phenylpropan-2-yl)oxymethyl formate
CID 87065928
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-phenylmethoxypropyl)benzene?
The IUPAC name of (2-methyl-2-phenylmethoxypropyl)benzene (CID 86203864) is (2-methyl-2-phenylmethoxypropyl)benzene.
What is the SMILES notation for (2-methyl-2-phenylmethoxypropyl)benzene?
The canonical SMILES for (2-methyl-2-phenylmethoxypropyl)benzene is CC(C)(Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2-methyl-2-phenylmethoxypropyl)benzene?
The InChIKey is XHYLLLDWNSQBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-17(2,13-15-9-5-3-6-10-15)18-14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of (2-methyl-2-phenylmethoxypropyl)benzene?
(2-methyl-2-phenylmethoxypropyl)benzene has a molecular weight of 240.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-phenylmethoxypropyl)benzene is sourced from PubChem (CID 86203864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).