2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene

C19H24O — CID 60627982

IUPAC2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24O/c1-14-6-7-15(2)16(12-14)13-20-18-10-8-17(9-11-18)19(3,4)5/h6-12H,13H2,1-5H3
InChIKeyQKMQJXJCVWUFAK-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.18
Rot. Bonds3

About 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene

2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene (PubChem CID 60627982) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
PubChem CID60627982
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(COc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24O/c1-14-6-7-15(2)16(12-14)13-20-18-10-8-17(9-11-18)19(3,4)5/h6-12H,13H2,1-5H3
InChIKeyQKMQJXJCVWUFAK-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene (CID 60627982) is 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene is Cc1ccc(C)c(COc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene?
The InChIKey is QKMQJXJCVWUFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-14-6-7-15(2)16(12-14)13-20-18-10-8-17(9-11-18)19(3,4)5/h6-12H,13H2,1-5H3.
What are the key properties of 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene?
2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene has a molecular weight of 268.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenoxy)methyl]-1,4-dimethylbenzene is sourced from PubChem (CID 60627982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).