1-ethyl-4-(3-methylbutoxy)benzene

C13H20O — CID 60722998

IUPAC1-ethyl-4-(3-methylbutoxy)benzene
SMILESCCc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C13H20O/c1-4-12-5-7-13(8-6-12)14-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBDZCMWJAYIFVIW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds5

About 1-ethyl-4-(3-methylbutoxy)benzene

1-ethyl-4-(3-methylbutoxy)benzene (PubChem CID 60722998) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylbutoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-(3-methylbutoxy)benzene
PubChem CID60722998
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-ethyl-4-(3-methylbutoxy)benzene
SMILESCCc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C13H20O/c1-4-12-5-7-13(8-6-12)14-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyBDZCMWJAYIFVIW-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylbutoxy)benzene?
The IUPAC name of 1-ethyl-4-(3-methylbutoxy)benzene (CID 60722998) is 1-ethyl-4-(3-methylbutoxy)benzene.
What is the SMILES notation for 1-ethyl-4-(3-methylbutoxy)benzene?
The canonical SMILES for 1-ethyl-4-(3-methylbutoxy)benzene is CCc1ccc(OCCC(C)C)cc1.
What is the InChIKey of 1-ethyl-4-(3-methylbutoxy)benzene?
The InChIKey is BDZCMWJAYIFVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-12-5-7-13(8-6-12)14-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-ethyl-4-(3-methylbutoxy)benzene?
1-ethyl-4-(3-methylbutoxy)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylbutoxy)benzene is sourced from PubChem (CID 60722998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).