1-methyl-3-(propan-2-yloxymethyl)benzene

C11H16O — CID 10464662

IUPAC1-methyl-3-(propan-2-yloxymethyl)benzene
SMILESCc1cccc(COC(C)C)c1
InChIInChI=1S/C11H16O/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
InChIKeyRUFKLMFJFLCEFE-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.92
Rot. Bonds3

About 1-methyl-3-(propan-2-yloxymethyl)benzene

1-methyl-3-(propan-2-yloxymethyl)benzene (PubChem CID 10464662) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methyl-3-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(propan-2-yloxymethyl)benzene
PubChem CID10464662
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-methyl-3-(propan-2-yloxymethyl)benzene
SMILESCc1cccc(COC(C)C)c1
InChIInChI=1S/C11H16O/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3
InChIKeyRUFKLMFJFLCEFE-UHFFFAOYSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(3-methylphenyl)methyl]-3-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111899624
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CID 15640186
1-[3-(propan-2-yloxymethyl)phenyl]propan-2-amine
CID 83883412
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
(3-methylphenyl)methyl 2-(methylamino)propanoate
CID 145274403
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
2,7-bis(propan-2-yloxymethyl)anthracene
CID 176781411
2-methyl-5-(propan-2-yloxymethyl)phenol
CID 117222042
N-methyl-1-[(3-methylphenyl)methoxy]methanamine
CID 142182109
1-(2,2-dimethylpropoxymethyl)-3-methylbenzene
CID 91703784
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-methyl-3-(propan-2-yloxymethyl)benzene (CID 10464662) is 1-methyl-3-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-methyl-3-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-methyl-3-(propan-2-yloxymethyl)benzene is Cc1cccc(COC(C)C)c1.
What is the InChIKey of 1-methyl-3-(propan-2-yloxymethyl)benzene?
The InChIKey is RUFKLMFJFLCEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9(2)12-8-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-methyl-3-(propan-2-yloxymethyl)benzene?
1-methyl-3-(propan-2-yloxymethyl)benzene has a molecular weight of 164.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 10464662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).