1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene

C14H18O2 — CID 153464042

IUPAC1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(COC2CCC2)c1
InChIInChI=1S/C14H18O2/c1-2-9-15-14-8-3-5-12(10-14)11-16-13-6-4-7-13/h2-3,5,8,10,13H,1,4,6-7,9,11H2
InChIKeyBVJCDXWPHYCCQY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.32
Rot. Bonds6

About 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene

1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene (PubChem CID 153464042) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene
PubChem CID153464042
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(COC2CCC2)c1
InChIInChI=1S/C14H18O2/c1-2-9-15-14-8-3-5-12(10-14)11-16-13-6-4-7-13/h2-3,5,8,10,13H,1,4,6-7,9,11H2
InChIKeyBVJCDXWPHYCCQY-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium
CID 7937281
1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde
CID 126676114
1-(cyclopentyloxymethyl)-3-cyclopropylbenzene
CID 126674869
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
CID 54849975
azane;cyclopentyloxymethylbenzene
CID 69411306
(3-prop-2-enoxyphenyl)azanium
CID 59822882
2-(cyclohexyloxymethyl)naphthalene
CID 10705229
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956
[3-(cyclohexyloxymethyl)phenyl]boronic acid
CID 53211400

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene?
The IUPAC name of 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene (CID 153464042) is 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene.
What is the SMILES notation for 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene?
The canonical SMILES for 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene is C=CCOc1cccc(COC2CCC2)c1.
What is the InChIKey of 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene?
The InChIKey is BVJCDXWPHYCCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-9-15-14-8-3-5-12(10-14)11-16-13-6-4-7-13/h2-3,5,8,10,13H,1,4,6-7,9,11H2.
What are the key properties of 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene?
1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene has a molecular weight of 218.30 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene is sourced from PubChem (CID 153464042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).