ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde

C13H18O — CID 143873127

IUPACethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCC.Cc1ccc(C2(C=O)CC2)cc1
InChIInChI=1S/C11H12O.C2H6/c1-9-2-4-10(5-3-9)11(8-12)6-7-11;1-2/h2-5,8H,6-7H2,1H3;1-2H3
InChIKeyJDZDHUREEURXBW-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.25
Rot. Bonds2

About ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde

ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 143873127) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
PubChem CID143873127
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nameethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCC.Cc1ccc(C2(C=O)CC2)cc1
InChIInChI=1S/C11H12O.C2H6/c1-9-2-4-10(5-3-9)11(8-12)6-7-11;1-2/h2-5,8H,6-7H2,1H3;1-2H3
InChIKeyJDZDHUREEURXBW-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.25
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

1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 178099838
1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
CID 105446585
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-[1-(2-bromo-2-fluoroethenyl)cyclopropyl]-4-methylbenzene;1-(4-methylphenyl)cyclopropane-1-carbaldehyde;tri(propan-2-yl)phosphane
CID 158381171
1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde
CID 117047057
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
1-(2-amino-4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143152801
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde (CID 143873127) is ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde is CC.Cc1ccc(C2(C=O)CC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is JDZDHUREEURXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O.C2H6/c1-9-2-4-10(5-3-9)11(8-12)6-7-11;1-2/h2-5,8H,6-7H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde?
ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 190.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 143873127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).