1-methoxy-3-(3-methylidenecyclobutyl)benzene

C12H14O — CID 156818546

IUPAC1-methoxy-3-(3-methylidenecyclobutyl)benzene
SMILESC=C1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C12H14O/c1-9-6-11(7-9)10-4-3-5-12(8-10)13-2/h3-5,8,11H,1,6-7H2,2H3
InChIKeyFRFNMDXUVSLUJQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.13
Rot. Bonds2

About 1-methoxy-3-(3-methylidenecyclobutyl)benzene

1-methoxy-3-(3-methylidenecyclobutyl)benzene (PubChem CID 156818546) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylidenecyclobutyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(3-methylidenecyclobutyl)benzene
PubChem CID156818546
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-methoxy-3-(3-methylidenecyclobutyl)benzene
SMILESC=C1CC(c2cccc(OC)c2)C1
InChIInChI=1S/C12H14O/c1-9-6-11(7-9)10-4-3-5-12(8-10)13-2/h3-5,8,11H,1,6-7H2,2H3
InChIKeyFRFNMDXUVSLUJQ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-cyclopropyl-3-methoxybenzene;methanol
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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylidenecyclobutyl)benzene?
The IUPAC name of 1-methoxy-3-(3-methylidenecyclobutyl)benzene (CID 156818546) is 1-methoxy-3-(3-methylidenecyclobutyl)benzene.
What is the SMILES notation for 1-methoxy-3-(3-methylidenecyclobutyl)benzene?
The canonical SMILES for 1-methoxy-3-(3-methylidenecyclobutyl)benzene is C=C1CC(c2cccc(OC)c2)C1.
What is the InChIKey of 1-methoxy-3-(3-methylidenecyclobutyl)benzene?
The InChIKey is FRFNMDXUVSLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-9-6-11(7-9)10-4-3-5-12(8-10)13-2/h3-5,8,11H,1,6-7H2,2H3.
What are the key properties of 1-methoxy-3-(3-methylidenecyclobutyl)benzene?
1-methoxy-3-(3-methylidenecyclobutyl)benzene has a molecular weight of 174.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylidenecyclobutyl)benzene is sourced from PubChem (CID 156818546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).