1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene

C17H20O — CID 142077651

IUPAC1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
SMILESCCc1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C17H20O/c1-4-16-11-13(2)10-14(3)17(16)18-12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3
InChIKeyXJCMJIMJTCXKFA-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.44
Rot. Bonds4

About 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene

1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene (PubChem CID 142077651) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
PubChem CID142077651
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
SMILESCCc1cc(C)cc(C)c1OCc1ccccc1
InChIInChI=1S/C17H20O/c1-4-16-11-13(2)10-14(3)17(16)18-12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3
InChIKeyXJCMJIMJTCXKFA-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
tert-butyl 3-ethyl-5-methyl-4-phenylmethoxybenzoate
CID 66932009
2-[1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethyl]-4,6-dimethylphenol
CID 58819703
1-(1-isocyanoethyl)-3,5-dimethyl-2-phenylmethoxybenzene
CID 5038201
(E)-2-acetamido-3-(3-ethyl-5-methyl-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 68674933
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
3-methyl-4-phenylmethoxynaphthalen-1-ol
CID 12051652
benzyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 59301811
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
2-bromo-1-(3,5-dimethyl-4-phenylmethoxyphenyl)ethanone
CID 13440082

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene?
The IUPAC name of 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene (CID 142077651) is 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene is CCc1cc(C)cc(C)c1OCc1ccccc1.
What is the InChIKey of 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene?
The InChIKey is XJCMJIMJTCXKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-4-16-11-13(2)10-14(3)17(16)18-12-15-8-6-5-7-9-15/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene?
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene has a molecular weight of 240.35 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene is sourced from PubChem (CID 142077651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).