2-(3-chlorophenyl)cyclobutane-1-carbaldehyde

C11H11ClO — CID 105448643

IUPAC2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
SMILESO=CC1CCC1c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO/c12-10-3-1-2-8(6-10)11-5-4-9(11)7-13/h1-3,6-7,9,11H,4-5H2
InChIKeyCHVHNVDKVIMQGT-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.03
Rot. Bonds2

About 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde

2-(3-chlorophenyl)cyclobutane-1-carbaldehyde (PubChem CID 105448643) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
PubChem CID105448643
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
SMILESO=CC1CCC1c1cccc(Cl)c1
InChIInChI=1S/C11H11ClO/c12-10-3-1-2-8(6-10)11-5-4-9(11)7-13/h1-3,6-7,9,11H,4-5H2
InChIKeyCHVHNVDKVIMQGT-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 105485228
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
CID 174696858
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
[2-(3-chlorophenyl)cyclopropyl]boronic acid
CID 156757957
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
1-chloro-3-cyclobutylbenzene;methane
CID 178166077
1-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]ethanone
CID 39239299
trans-(1S,2S)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 131139995

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde (CID 105448643) is 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde is O=CC1CCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde?
The InChIKey is CHVHNVDKVIMQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c12-10-3-1-2-8(6-10)11-5-4-9(11)7-13/h1-3,6-7,9,11H,4-5H2.
What are the key properties of 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde?
2-(3-chlorophenyl)cyclobutane-1-carbaldehyde has a molecular weight of 194.66 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 105448643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).