3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde

C15H20O4 — CID 112745923

IUPAC3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OC1CCCC1(C)O
InChIInChI=1S/C15H20O4/c1-3-18-13-9-11(10-16)6-7-12(13)19-14-5-4-8-15(14,2)17/h6-7,9-10,14,17H,3-5,8H2,1-2H3
InChIKeyYXQILFVTXARYSK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.58
Rot. Bonds5

About 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde

3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde (PubChem CID 112745923) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde
PubChem CID112745923
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OC1CCCC1(C)O
InChIInChI=1S/C15H20O4/c1-3-18-13-9-11(10-16)6-7-12(13)19-14-5-4-8-15(14,2)17/h6-7,9-10,14,17H,3-5,8H2,1-2H3
InChIKeyYXQILFVTXARYSK-UHFFFAOYSA-N
XLogP2.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 9201186
3-ethoxy-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
CID 22841405
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
4-ethoxy-3-ethylbenzaldehyde
CID 53410104
3-(2-ethoxy-4-formylphenoxy)propanoic acid
CID 28701161
4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
CID 143714272
2-[1-[(2-ethoxy-4-formylphenoxy)methyl]cyclopropyl]acetonitrile
CID 65496923
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde?
The IUPAC name of 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde (CID 112745923) is 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde?
The canonical SMILES for 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde is CCOc1cc(C=O)ccc1OC1CCCC1(C)O.
What is the InChIKey of 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde?
The InChIKey is YXQILFVTXARYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-18-13-9-11(10-16)6-7-12(13)19-14-5-4-8-15(14,2)17/h6-7,9-10,14,17H,3-5,8H2,1-2H3.
What are the key properties of 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde?
3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde has a molecular weight of 264.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-hydroxy-2-methylcyclopentyl)oxybenzaldehyde is sourced from PubChem (CID 112745923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).