(2-ethyl-3-methylbutoxy)methylbenzene

C14H22O — CID 90754542

IUPAC(2-ethyl-3-methylbutoxy)methylbenzene
SMILESCCC(COCc1ccccc1)C(C)C
InChIInChI=1S/C14H22O/c1-4-14(12(2)3)11-15-10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3
InChIKeyKFZVIDHBBBHCSE-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.89
Rot. Bonds6

About (2-ethyl-3-methylbutoxy)methylbenzene

(2-ethyl-3-methylbutoxy)methylbenzene (PubChem CID 90754542) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2-ethyl-3-methylbutoxy)methylbenzene.

Molecular Properties

Compound Name(2-ethyl-3-methylbutoxy)methylbenzene
PubChem CID90754542
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2-ethyl-3-methylbutoxy)methylbenzene
SMILESCCC(COCc1ccccc1)C(C)C
InChIInChI=1S/C14H22O/c1-4-14(12(2)3)11-15-10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3
InChIKeyKFZVIDHBBBHCSE-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-methyl-2-(propan-2-ylsulfanylmethyl)butoxy]methylbenzene
CID 172547820
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
3-(phenylmethoxymethyl)heptan-4-ol
CID 11333834
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
2-fluorobutoxymethylbenzene
CID 121368179
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
[(2S)-2-ethyl-3-methylbutyl]benzene
CID 59911229
ethane;(2-ethyl-3-methylbutyl)benzene
CID 166139706
CID 89311949
CID 89311949
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-methylbutoxy)methylbenzene?
The IUPAC name of (2-ethyl-3-methylbutoxy)methylbenzene (CID 90754542) is (2-ethyl-3-methylbutoxy)methylbenzene.
What is the SMILES notation for (2-ethyl-3-methylbutoxy)methylbenzene?
The canonical SMILES for (2-ethyl-3-methylbutoxy)methylbenzene is CCC(COCc1ccccc1)C(C)C.
What is the InChIKey of (2-ethyl-3-methylbutoxy)methylbenzene?
The InChIKey is KFZVIDHBBBHCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-14(12(2)3)11-15-10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3.
What are the key properties of (2-ethyl-3-methylbutoxy)methylbenzene?
(2-ethyl-3-methylbutoxy)methylbenzene has a molecular weight of 206.33 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-methylbutoxy)methylbenzene is sourced from PubChem (CID 90754542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).