2-(4-ethyl-3-methoxyphenyl)acetaldehyde

C11H14O2 — CID 87726186

IUPAC2-(4-ethyl-3-methoxyphenyl)acetaldehyde
SMILESCCc1ccc(CC=O)cc1OC
InChIInChI=1S/C11H14O2/c1-3-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMGIUAKXKLDRAPA-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.00
Rot. Bonds4

About 2-(4-ethyl-3-methoxyphenyl)acetaldehyde

2-(4-ethyl-3-methoxyphenyl)acetaldehyde (PubChem CID 87726186) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(4-ethyl-3-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-ethyl-3-methoxyphenyl)acetaldehyde
PubChem CID87726186
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(4-ethyl-3-methoxyphenyl)acetaldehyde
SMILESCCc1ccc(CC=O)cc1OC
InChIInChI=1S/C11H14O2/c1-3-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyMGIUAKXKLDRAPA-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.00
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

2-[4-(aminomethyl)-2-methoxyphenyl]acetaldehyde
CID 174050388
2-(3-fluoro-4-methoxyphenyl)acetaldehyde
CID 62796139
4-(4-ethyl-3-methoxyphenyl)butan-2-amine
CID 118279101
1-ethyl-4-iodo-2-methoxybenzene
CID 90338673
tert-butyl 3-[3-methoxy-4-(2-oxoethyl)phenyl]propanoate
CID 56989065
3-methoxy-4-(2-oxoethyl)benzonitrile
CID 77230687
3-(4-ethyl-2-methoxyphenyl)propanoic acid
CID 91883544
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde
CID 144656441
2-(4-methylphenyl)acetaldehyde;1,2,3-trimethoxy-5-methylbenzene
CID 174802138
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
2-(2,3-dihydroxy-4-methoxyphenyl)acetaldehyde
CID 87549008

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(4-ethyl-3-methoxyphenyl)acetaldehyde (CID 87726186) is 2-(4-ethyl-3-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-ethyl-3-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(4-ethyl-3-methoxyphenyl)acetaldehyde is CCc1ccc(CC=O)cc1OC.
What is the InChIKey of 2-(4-ethyl-3-methoxyphenyl)acetaldehyde?
The InChIKey is MGIUAKXKLDRAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 2-(4-ethyl-3-methoxyphenyl)acetaldehyde?
2-(4-ethyl-3-methoxyphenyl)acetaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 87726186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).