3-methoxy-2-(2-methylpentoxy)benzaldehyde

C14H20O3 — CID 62265011

IUPAC3-methoxy-2-(2-methylpentoxy)benzaldehyde
SMILESCCCC(C)COc1c(C=O)cccc1OC
InChIInChI=1S/C14H20O3/c1-4-6-11(2)10-17-14-12(9-15)7-5-8-13(14)16-3/h5,7-9,11H,4,6,10H2,1-3H3
InChIKeyJCDGHNKEOSKTPF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.32
Rot. Bonds7

About 3-methoxy-2-(2-methylpentoxy)benzaldehyde

3-methoxy-2-(2-methylpentoxy)benzaldehyde (PubChem CID 62265011) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylpentoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-2-(2-methylpentoxy)benzaldehyde
PubChem CID62265011
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-methoxy-2-(2-methylpentoxy)benzaldehyde
SMILESCCCC(C)COc1c(C=O)cccc1OC
InChIInChI=1S/C14H20O3/c1-4-6-11(2)10-17-14-12(9-15)7-5-8-13(14)16-3/h5,7-9,11H,4,6,10H2,1-3H3
InChIKeyJCDGHNKEOSKTPF-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formyl-6-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 61489932
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(4-chlorobut-2-ynoxy)-3-methoxybenzaldehyde
CID 53406394
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
2-methoxy-3-pentoxybenzaldehyde
CID 82161467
3-(2,6-dimethoxyphenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62450721

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylpentoxy)benzaldehyde?
The IUPAC name of 3-methoxy-2-(2-methylpentoxy)benzaldehyde (CID 62265011) is 3-methoxy-2-(2-methylpentoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-2-(2-methylpentoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-2-(2-methylpentoxy)benzaldehyde is CCCC(C)COc1c(C=O)cccc1OC.
What is the InChIKey of 3-methoxy-2-(2-methylpentoxy)benzaldehyde?
The InChIKey is JCDGHNKEOSKTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-6-11(2)10-17-14-12(9-15)7-5-8-13(14)16-3/h5,7-9,11H,4,6,10H2,1-3H3.
What are the key properties of 3-methoxy-2-(2-methylpentoxy)benzaldehyde?
3-methoxy-2-(2-methylpentoxy)benzaldehyde has a molecular weight of 236.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylpentoxy)benzaldehyde is sourced from PubChem (CID 62265011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).