2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene

C22H28O2 — CID 123373823

IUPAC2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)c(Cc2ccc(OCCOC3CC3)cc2)c1
InChIInChI=1S/C22H28O2/c1-16(2)22-11-4-17(3)14-19(22)15-18-5-7-20(8-6-18)23-12-13-24-21-9-10-21/h4-8,11,14,16,21H,9-10,12-13,15H2,1-3H3
InChIKeyCMTBOTFWKXTKHL-UHFFFAOYSA-N
MW324.46 g/mol
LogP5.27
Rot. Bonds8

About 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene

2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene (PubChem CID 123373823) has the molecular formula C22H28O2 and a molecular weight of 324.46 g/mol. Its IUPAC name is 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene
PubChem CID123373823
Molecular FormulaC22H28O2
Molecular Weight324.46 g/mol
Exact Mass324.21
IUPAC Name2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)c(Cc2ccc(OCCOC3CC3)cc2)c1
InChIInChI=1S/C22H28O2/c1-16(2)22-11-4-17(3)14-19(22)15-18-5-7-20(8-6-18)23-12-13-24-21-9-10-21/h4-8,11,14,16,21H,9-10,12-13,15H2,1-3H3
InChIKeyCMTBOTFWKXTKHL-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
4-bromo-1-chloro-2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]benzene
CID 59557755
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
1-chloro-4-methyl-2-[(4-propoxyphenyl)methyl]benzene
CID 123745786
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
1-methyl-4-[[4-[3-(4-methylcyclohexyl)oxypropoxy]phenoxy]methyl]benzene
CID 59265586
4-methyl-2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 141236987
(2R,4R)-6-[4-chloro-3-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]phenyl]hexane-1,2,4,6-tetrol
CID 130305846
2-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]ethanethioamide
CID 43291208
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene?
The IUPAC name of 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene (CID 123373823) is 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene is Cc1ccc(C(C)C)c(Cc2ccc(OCCOC3CC3)cc2)c1.
What is the InChIKey of 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene?
The InChIKey is CMTBOTFWKXTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2/c1-16(2)22-11-4-17(3)14-19(22)15-18-5-7-20(8-6-18)23-12-13-24-21-9-10-21/h4-8,11,14,16,21H,9-10,12-13,15H2,1-3H3.
What are the key properties of 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene?
2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene has a molecular weight of 324.46 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-cyclopropyloxyethoxy)phenyl]methyl]-4-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 123373823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).