1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde

C12H14O2 — CID 83684685

IUPAC1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
SMILESCOc1cccc(C2(C=O)CCC2)c1
InChIInChI=1S/C12H14O2/c1-14-11-5-2-4-10(8-11)12(9-13)6-3-7-12/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyRVMAJTQIFTWHCY-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.32
Rot. Bonds3

About 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde

1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde (PubChem CID 83684685) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
PubChem CID83684685
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
SMILESCOc1cccc(C2(C=O)CCC2)c1
InChIInChI=1S/C12H14O2/c1-14-11-5-2-4-10(8-11)12(9-13)6-3-7-12/h2,4-5,8-9H,3,6-7H2,1H3
InChIKeyRVMAJTQIFTWHCY-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-[3-(cyclopentyloxymethoxy)phenyl]cyclohexane-1-carbaldehyde
CID 57048854
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708
2-(3-methoxyphenyl)-2-methylcyclohexan-1-one
CID 20571960
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
CID 15030110

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde (CID 83684685) is 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde is COc1cccc(C2(C=O)CCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde?
The InChIKey is RVMAJTQIFTWHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-11-5-2-4-10(8-11)12(9-13)6-3-7-12/h2,4-5,8-9H,3,6-7H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde?
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 83684685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).