1-butan-2-yloxy-2-ethylbenzene

C12H18O — CID 64763289

IUPAC1-butan-2-yloxy-2-ethylbenzene
SMILESCCc1ccccc1OC(C)CC
InChIInChI=1S/C12H18O/c1-4-10(3)13-12-9-7-6-8-11(12)5-2/h6-10H,4-5H2,1-3H3
InChIKeyYFTAERPTSASFNV-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.43
Rot. Bonds4

About 1-butan-2-yloxy-2-ethylbenzene

1-butan-2-yloxy-2-ethylbenzene (PubChem CID 64763289) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-butan-2-yloxy-2-ethylbenzene.

Molecular Properties

Compound Name1-butan-2-yloxy-2-ethylbenzene
PubChem CID64763289
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name1-butan-2-yloxy-2-ethylbenzene
SMILESCCc1ccccc1OC(C)CC
InChIInChI=1S/C12H18O/c1-4-10(3)13-12-9-7-6-8-11(12)5-2/h6-10H,4-5H2,1-3H3
InChIKeyYFTAERPTSASFNV-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
ethyl 2-(2-butan-2-yloxyphenyl)acetate
CID 152870971
1-(2-ethylphenoxy)ethanol
CID 154419184
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
4-(2-ethylphenoxy)-N-propylpentan-2-amine
CID 64720460
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
CID 70628268
CID 70628268
2-amino-4-(2-ethylphenoxy)-2-methylpentanenitrile
CID 64725627
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
CID 125426921

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-2-ethylbenzene?
The IUPAC name of 1-butan-2-yloxy-2-ethylbenzene (CID 64763289) is 1-butan-2-yloxy-2-ethylbenzene.
What is the SMILES notation for 1-butan-2-yloxy-2-ethylbenzene?
The canonical SMILES for 1-butan-2-yloxy-2-ethylbenzene is CCc1ccccc1OC(C)CC.
What is the InChIKey of 1-butan-2-yloxy-2-ethylbenzene?
The InChIKey is YFTAERPTSASFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-4-10(3)13-12-9-7-6-8-11(12)5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-butan-2-yloxy-2-ethylbenzene?
1-butan-2-yloxy-2-ethylbenzene has a molecular weight of 178.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-2-ethylbenzene is sourced from PubChem (CID 64763289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).