1-(3-ethylcyclobutyl)-4-methoxybenzene

C13H18O — CID 166481315

IUPAC1-(3-ethylcyclobutyl)-4-methoxybenzene
SMILESCCC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C13H18O/c1-3-10-8-12(9-10)11-4-6-13(14-2)7-5-11/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyBCYFDCAEOYPACF-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.60
Rot. Bonds3

About 1-(3-ethylcyclobutyl)-4-methoxybenzene

1-(3-ethylcyclobutyl)-4-methoxybenzene (PubChem CID 166481315) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)-4-methoxybenzene
PubChem CID166481315
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(3-ethylcyclobutyl)-4-methoxybenzene
SMILESCCC1CC(c2ccc(OC)cc2)C1
InChIInChI=1S/C13H18O/c1-3-10-8-12(9-10)11-4-6-13(14-2)7-5-11/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyBCYFDCAEOYPACF-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 114107711
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
3-(4-methoxyphenyl)-N-octylcyclobutan-1-amine
CID 115566490
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
1-(3-ethylcyclobutyl)-4-(2,2,2-trifluoroethyl)benzene
CID 169171689
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 60920137
6-butyl-2-(4-methoxyphenyl)spiro[3.3]heptane
CID 19387563
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)-4-methoxybenzene?
The IUPAC name of 1-(3-ethylcyclobutyl)-4-methoxybenzene (CID 166481315) is 1-(3-ethylcyclobutyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3-ethylcyclobutyl)-4-methoxybenzene?
The canonical SMILES for 1-(3-ethylcyclobutyl)-4-methoxybenzene is CCC1CC(c2ccc(OC)cc2)C1.
What is the InChIKey of 1-(3-ethylcyclobutyl)-4-methoxybenzene?
The InChIKey is BCYFDCAEOYPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-10-8-12(9-10)11-4-6-13(14-2)7-5-11/h4-7,10,12H,3,8-9H2,1-2H3.
What are the key properties of 1-(3-ethylcyclobutyl)-4-methoxybenzene?
1-(3-ethylcyclobutyl)-4-methoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)-4-methoxybenzene is sourced from PubChem (CID 166481315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).