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

C17H18Cl2O — CID 60627955

IUPAC1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
SMILESCC(C)(C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O/c1-17(2,3)13-5-8-15(9-6-13)20-11-12-4-7-14(18)10-16(12)19/h4-10H,11H2,1-3H3
InChIKeyRTFZOMHFZAQLTM-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.87
Rot. Bonds3

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

1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene (PubChem CID 60627955) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene.

Molecular Properties

Compound Name1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
PubChem CID60627955
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
SMILESCC(C)(C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O/c1-17(2,3)13-5-8-15(9-6-13)20-11-12-4-7-14(18)10-16(12)19/h4-10H,11H2,1-3H3
InChIKeyRTFZOMHFZAQLTM-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17295971
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
N-carbamothioyl-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 132591174

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene?
The IUPAC name of 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene (CID 60627955) is 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene.
What is the SMILES notation for 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene?
The canonical SMILES for 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene is CC(C)(C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene?
The InChIKey is RTFZOMHFZAQLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c1-17(2,3)13-5-8-15(9-6-13)20-11-12-4-7-14(18)10-16(12)19/h4-10H,11H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene?
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene has a molecular weight of 309.24 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene is sourced from PubChem (CID 60627955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).