1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene

C15H24O — CID 142992772

IUPAC1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene
SMILESCCc1c(CCC(C)(C)C)cccc1OC
InChIInChI=1S/C15H24O/c1-6-13-12(10-11-15(2,3)4)8-7-9-14(13)16-5/h7-9H,6,10-11H2,1-5H3
InChIKeyCGHYYFAUOGJYJB-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.24
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene

1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene (PubChem CID 142992772) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene
PubChem CID142992772
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene
SMILESCCc1c(CCC(C)(C)C)cccc1OC
InChIInChI=1S/C15H24O/c1-6-13-12(10-11-15(2,3)4)8-7-9-14(13)16-5/h7-9H,6,10-11H2,1-5H3
InChIKeyCGHYYFAUOGJYJB-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
3-(2-ethyl-3-methoxyphenyl)propanoic acid
CID 117297447
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
1-ethoxy-2-ethyl-3-methoxybenzene
CID 155116289
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
2-butyl-1,3-dimethoxybenzene
CID 524840
1-methoxy-2-(3,3,3-trifluoropropyl)benzene
CID 162553251
1,3-dibutyl-2-ethylbenzene
CID 22713046
2-benzyl-1-methoxy-3-(2-phenylethyl)benzene
CID 173327548
1-(3-chloropropyl)-3-ethoxy-2-ethylbenzene
CID 118802073
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene?
The IUPAC name of 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene (CID 142992772) is 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene is CCc1c(CCC(C)(C)C)cccc1OC.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene?
The InChIKey is CGHYYFAUOGJYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-6-13-12(10-11-15(2,3)4)8-7-9-14(13)16-5/h7-9H,6,10-11H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene?
1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2-ethyl-3-methoxybenzene is sourced from PubChem (CID 142992772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).