1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene

C19H24O — CID 60627116

IUPAC1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
SMILESCCc1ccccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24O/c1-5-16-8-6-7-9-18(16)20-14-15-10-12-17(13-11-15)19(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyKOXCHXKDAYXQGZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.13
Rot. Bonds4

About 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene

1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene (PubChem CID 60627116) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
PubChem CID60627116
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene
SMILESCCc1ccccc1OCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24O/c1-5-16-8-6-7-9-18(16)20-14-15-10-12-17(13-11-15)19(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyKOXCHXKDAYXQGZ-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
2-[2-[(4-tert-butylphenyl)methoxy]phenyl]acetaldehyde;ethane
CID 144777042
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
2-bromo-5-[(2-ethylphenoxy)methyl]aniline
CID 115557510
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
CID 52935326

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene?
The IUPAC name of 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene (CID 60627116) is 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene is CCc1ccccc1OCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene?
The InChIKey is KOXCHXKDAYXQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-5-16-8-6-7-9-18(16)20-14-15-10-12-17(13-11-15)19(2,3)4/h6-13H,5,14H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene?
1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene has a molecular weight of 268.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2-ethylphenoxy)methyl]benzene is sourced from PubChem (CID 60627116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).