7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene

C19H22O — CID 81005539

IUPAC7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1ccc(C(C)C)cc1OCC1Cc2ccccc21
InChIInChI=1S/C19H22O/c1-13(2)15-9-8-14(3)19(11-15)20-12-17-10-16-6-4-5-7-18(16)17/h4-9,11,13,17H,10,12H2,1-3H3
InChIKeyFZFQGFORMMAMJV-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.84
Rot. Bonds4

About 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene

7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 81005539) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID81005539
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1ccc(C(C)C)cc1OCC1Cc2ccccc21
InChIInChI=1S/C19H22O/c1-13(2)15-9-8-14(3)19(11-15)20-12-17-10-16-6-4-5-7-18(16)17/h4-9,11,13,17H,10,12H2,1-3H3
InChIKeyFZFQGFORMMAMJV-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene with MolForge

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Related Compounds

2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81004753
7-[(2-bromo-4-methylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66419117
7-[(2-bromo-4-methoxyphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 104707526
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-methylphenyl]-N-methylmethanamine
CID 66419666
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919669
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-2,4-dimethylaniline
CID 66419657
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-fluorophenyl]propan-2-amine
CID 107700921
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenyl]butan-2-amine
CID 66394674

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene (CID 81005539) is 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene is Cc1ccc(C(C)C)cc1OCC1Cc2ccccc21.
What is the InChIKey of 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is FZFQGFORMMAMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-13(2)15-9-8-14(3)19(11-15)20-12-17-10-16-6-4-5-7-18(16)17/h4-9,11,13,17H,10,12H2,1-3H3.
What are the key properties of 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 266.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 81005539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).