2-ethyl-4-(3-methylbutoxy)benzaldehyde

C14H20O2 — CID 175816667

IUPAC2-ethyl-4-(3-methylbutoxy)benzaldehyde
SMILESCCc1cc(OCCC(C)C)ccc1C=O
InChIInChI=1S/C14H20O2/c1-4-12-9-14(6-5-13(12)10-15)16-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyMUBJSNZDWOILKJ-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.49
Rot. Bonds6

About 2-ethyl-4-(3-methylbutoxy)benzaldehyde

2-ethyl-4-(3-methylbutoxy)benzaldehyde (PubChem CID 175816667) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-ethyl-4-(3-methylbutoxy)benzaldehyde.

Molecular Properties

Compound Name2-ethyl-4-(3-methylbutoxy)benzaldehyde
PubChem CID175816667
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-ethyl-4-(3-methylbutoxy)benzaldehyde
SMILESCCc1cc(OCCC(C)C)ccc1C=O
InChIInChI=1S/C14H20O2/c1-4-12-9-14(6-5-13(12)10-15)16-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3
InChIKeyMUBJSNZDWOILKJ-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.49
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

4-butoxy-2-ethylbenzaldehyde
CID 89039391
1-[2-ethyl-4-(3-methylbutoxy)phenyl]-2-methylpropan-1-one
CID 168997277
2-(2-methylpropoxy)-4-propoxybenzaldehyde
CID 43388343
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
[4-(3-methylbutoxy)phenyl] formate
CID 54338269
2-(bromomethyl)-1,4-bis(3-methylbutoxy)benzene
CID 59245479
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
4-(3-methylbutoxy)-2-prop-2-enylphenol
CID 24770421
methyl (2S)-4-(3-chloro-4-formylphenoxy)-2-methylbutanoate
CID 178028992
2-(3-methylbutoxy)-1-prop-2-enyl-4-propoxybenzene
CID 24770649

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-methylbutoxy)benzaldehyde?
The IUPAC name of 2-ethyl-4-(3-methylbutoxy)benzaldehyde (CID 175816667) is 2-ethyl-4-(3-methylbutoxy)benzaldehyde.
What is the SMILES notation for 2-ethyl-4-(3-methylbutoxy)benzaldehyde?
The canonical SMILES for 2-ethyl-4-(3-methylbutoxy)benzaldehyde is CCc1cc(OCCC(C)C)ccc1C=O.
What is the InChIKey of 2-ethyl-4-(3-methylbutoxy)benzaldehyde?
The InChIKey is MUBJSNZDWOILKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-12-9-14(6-5-13(12)10-15)16-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3.
What are the key properties of 2-ethyl-4-(3-methylbutoxy)benzaldehyde?
2-ethyl-4-(3-methylbutoxy)benzaldehyde has a molecular weight of 220.31 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-methylbutoxy)benzaldehyde is sourced from PubChem (CID 175816667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).