1-methyl-3-phenyl-2-propan-2-yloxybenzene

C16H18O — CID 101215172

IUPAC1-methyl-3-phenyl-2-propan-2-yloxybenzene
SMILESCc1cccc(-c2ccccc2)c1OC(C)C
InChIInChI=1S/C16H18O/c1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyIWFWOZHUZGOWQB-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.45
Rot. Bonds3

About 1-methyl-3-phenyl-2-propan-2-yloxybenzene

1-methyl-3-phenyl-2-propan-2-yloxybenzene (PubChem CID 101215172) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methyl-3-phenyl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-methyl-3-phenyl-2-propan-2-yloxybenzene
PubChem CID101215172
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-methyl-3-phenyl-2-propan-2-yloxybenzene
SMILESCc1cccc(-c2ccccc2)c1OC(C)C
InChIInChI=1S/C16H18O/c1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyIWFWOZHUZGOWQB-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2-(3-methyl-2-propan-2-yloxyphenyl)benzene
CID 68758532
ethane;1-methyl-3-phenyl-2-sulfanyloxybenzene
CID 144756477
(3-phenyl-2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171037647
1-(2-bromoethyl)-3-phenyl-2-propan-2-yloxybenzene
CID 175251474
N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine
CID 71137440
2-(2-bromoethoxy)-1-methyl-3-phenylbenzene
CID 171037127
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-(3-methyl-2-propan-2-yloxyphenyl)-4-propan-2-yloxypyridine
CID 158767697
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-6-phenylphenoxy]-3-phenylbenzene
CID 140972747
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-2-propan-2-yloxybenzene?
The IUPAC name of 1-methyl-3-phenyl-2-propan-2-yloxybenzene (CID 101215172) is 1-methyl-3-phenyl-2-propan-2-yloxybenzene.
What is the SMILES notation for 1-methyl-3-phenyl-2-propan-2-yloxybenzene?
The canonical SMILES for 1-methyl-3-phenyl-2-propan-2-yloxybenzene is Cc1cccc(-c2ccccc2)c1OC(C)C.
What is the InChIKey of 1-methyl-3-phenyl-2-propan-2-yloxybenzene?
The InChIKey is IWFWOZHUZGOWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12(2)17-16-13(3)8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,1-3H3.
What are the key properties of 1-methyl-3-phenyl-2-propan-2-yloxybenzene?
1-methyl-3-phenyl-2-propan-2-yloxybenzene has a molecular weight of 226.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-2-propan-2-yloxybenzene is sourced from PubChem (CID 101215172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).