4-methyl-1-phenoxy-2-propan-2-ylbenzene

C16H18O — CID 54452186

IUPAC4-methyl-1-phenoxy-2-propan-2-ylbenzene
SMILESCc1ccc(Oc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C16H18O/c1-12(2)15-11-13(3)9-10-16(15)17-14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyWVRQKJOJLAFTTM-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.91
Rot. Bonds3

About 4-methyl-1-phenoxy-2-propan-2-ylbenzene

4-methyl-1-phenoxy-2-propan-2-ylbenzene (PubChem CID 54452186) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-1-phenoxy-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-methyl-1-phenoxy-2-propan-2-ylbenzene
PubChem CID54452186
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name4-methyl-1-phenoxy-2-propan-2-ylbenzene
SMILESCc1ccc(Oc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C16H18O/c1-12(2)15-11-13(3)9-10-16(15)17-14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyWVRQKJOJLAFTTM-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-[2-(5-methyl-2-phenoxyphenyl)phenyl]-1-phenoxybenzene
CID 87662305
4-[2-[1-[2-(4-aminophenoxy)-5-methylphenyl]ethyl]-4-methylphenoxy]aniline
CID 22237122
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
5-methyl-2-phenoxybenzenediazonium
CID 10399706
3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63943066
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
(5-methyl-2-nitrophenyl)-(2-phenoxyphenyl)methanol
CID 163666008
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
1-(4-methylphenyl)-4-phenoxynaphthalene
CID 174669549
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 7935802

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenoxy-2-propan-2-ylbenzene?
The IUPAC name of 4-methyl-1-phenoxy-2-propan-2-ylbenzene (CID 54452186) is 4-methyl-1-phenoxy-2-propan-2-ylbenzene.
What is the SMILES notation for 4-methyl-1-phenoxy-2-propan-2-ylbenzene?
The canonical SMILES for 4-methyl-1-phenoxy-2-propan-2-ylbenzene is Cc1ccc(Oc2ccccc2)c(C(C)C)c1.
What is the InChIKey of 4-methyl-1-phenoxy-2-propan-2-ylbenzene?
The InChIKey is WVRQKJOJLAFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-12(2)15-11-13(3)9-10-16(15)17-14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 4-methyl-1-phenoxy-2-propan-2-ylbenzene?
4-methyl-1-phenoxy-2-propan-2-ylbenzene has a molecular weight of 226.32 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenoxy-2-propan-2-ylbenzene is sourced from PubChem (CID 54452186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).