2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene

C22H30O — CID 175265756

IUPAC2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
SMILESCCCCc1c(C)cccc1Oc1cccc(C)c1CCCC
InChIInChI=1S/C22H30O/c1-5-7-13-19-17(3)11-9-15-21(19)23-22-16-10-12-18(4)20(22)14-8-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyKFCFVSBUKKAYDJ-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.78
Rot. Bonds8

About 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene

2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene (PubChem CID 175265756) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene.

Molecular Properties

Compound Name2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
PubChem CID175265756
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
SMILESCCCCc1c(C)cccc1Oc1cccc(C)c1CCCC
InChIInChI=1S/C22H30O/c1-5-7-13-19-17(3)11-9-15-21(19)23-22-16-10-12-18(4)20(22)14-8-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyKFCFVSBUKKAYDJ-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-1,3-dimethoxybenzene
CID 524840
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
(3-methyl-2-octylphenyl) hydrogen carbonate
CID 67179564
2-butyl-3-methylphenol
CID 174788119
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542
(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
(2-heptyl-3-methylphenyl) but-2-enoate
CID 70473579
CID 173004407
CID 173004407
1,2-dihexyl-3-methylbenzene
CID 15920121
2-hexyl-3-methylphenol
CID 28322
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene?
The IUPAC name of 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene (CID 175265756) is 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene.
What is the SMILES notation for 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene?
The canonical SMILES for 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene is CCCCc1c(C)cccc1Oc1cccc(C)c1CCCC.
What is the InChIKey of 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene?
The InChIKey is KFCFVSBUKKAYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-5-7-13-19-17(3)11-9-15-21(19)23-22-16-10-12-18(4)20(22)14-8-6-2/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene?
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene has a molecular weight of 310.48 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene is sourced from PubChem (CID 175265756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).