1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde

C14H18O — CID 175280460

IUPAC1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde
SMILESCc1ccccc1C(C)C1(C=O)CCC1
InChIInChI=1S/C14H18O/c1-11-6-3-4-7-13(11)12(2)14(10-15)8-5-9-14/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKeyVOWNBEKZPQDXEO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde

1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde (PubChem CID 175280460) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde
PubChem CID175280460
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde
SMILESCc1ccccc1C(C)C1(C=O)CCC1
InChIInChI=1S/C14H18O/c1-11-6-3-4-7-13(11)12(2)14(10-15)8-5-9-14/h3-4,6-7,10,12H,5,8-9H2,1-2H3
InChIKeyVOWNBEKZPQDXEO-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.47
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-(2-methylphenyl)-2-sulfanylacetaldehyde
CID 173459115
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
4-(2-methylphenyl)pentanal
CID 88619188
formic acid;1,2-xylene
CID 175948526
1-[1-(2-methylphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81163308
1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 105494496
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
CID 19362082
CID 19362082
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116959124

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde?
The IUPAC name of 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde (CID 175280460) is 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde is Cc1ccccc1C(C)C1(C=O)CCC1.
What is the InChIKey of 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde?
The InChIKey is VOWNBEKZPQDXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-6-3-4-7-13(11)12(2)14(10-15)8-5-9-14/h3-4,6-7,10,12H,5,8-9H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde?
1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde has a molecular weight of 202.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)ethyl]cyclobutane-1-carbaldehyde is sourced from PubChem (CID 175280460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).