ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde

C14H22O3 — CID 178099838

IUPACethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
SMILESCC.CO.COc1ccc(C2(C=O)CC2)cc1
InChIInChI=1S/C11H12O2.C2H6.CH4O/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11;2*1-2/h2-5,8H,6-7H2,1H3;1-2H3;2H,1H3
InChIKeyNSSBDWNPOZOVDD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.56
Rot. Bonds3

About ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde

ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde (PubChem CID 178099838) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nameethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
PubChem CID178099838
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde
SMILESCC.CO.COc1ccc(C2(C=O)CC2)cc1
InChIInChI=1S/C11H12O2.C2H6.CH4O/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11;2*1-2/h2-5,8H,6-7H2,1H3;1-2H3;2H,1H3
InChIKeyNSSBDWNPOZOVDD-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143873127
methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate
CID 100977610
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
1-(4-methylsulfanylphenyl)cyclopropane-1-carbaldehyde
CID 105446585
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
bis[4-(1-formylcyclopropyl)phenyl] 2-butylpropanedioate
CID 174397088
1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
ethyl formate;1-(4-methoxyphenyl)cyclobutan-1-ol
CID 174816439

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde (CID 178099838) is ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde is CC.CO.COc1ccc(C2(C=O)CC2)cc1.
What is the InChIKey of ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is NSSBDWNPOZOVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C2H6.CH4O/c1-13-10-4-2-9(3-5-10)11(8-12)6-7-11;2*1-2/h2-5,8H,6-7H2,1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde?
ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 238.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1-(4-methoxyphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 178099838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).