4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde

C13H14O3 — CID 105472168

IUPAC4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OC1C=CCC1
InChIInChI=1S/C13H14O3/c1-15-13-8-10(9-14)6-7-12(13)16-11-4-2-3-5-11/h2,4,6-9,11H,3,5H2,1H3
InChIKeyQHYSUKRQSCGRRE-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.61
Rot. Bonds4

About 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde

4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde (PubChem CID 105472168) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde
PubChem CID105472168
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OC1C=CCC1
InChIInChI=1S/C13H14O3/c1-15-13-8-10(9-14)6-7-12(13)16-11-4-2-3-5-11/h2,4,6-9,11H,3,5H2,1H3
InChIKeyQHYSUKRQSCGRRE-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-azabicyclo[3.2.1]octan-8-yloxy)-3-methoxybenzaldehyde
CID 25222112
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
2-cyclopent-2-en-1-yloxybenzaldehyde
CID 13110295
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
3-(2-hydroxycyclohexyl)oxy-4-methoxybenzaldehyde
CID 60883976
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
4-(4-bromo-6-methylcyclohexa-2,4-dien-1-yl)oxy-3-methoxybenzaldehyde
CID 170440966
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
(4-formyl-2-methoxyphenyl) methanesulfonate
CID 3650004
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
bromocyclopentane;3-cyclopentyloxy-4-methoxybenzaldehyde;3-hydroxy-4-methoxybenzaldehyde;hydroiodide
CID 158018950

Frequently Asked Questions

What is the IUPAC name of 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde?
The IUPAC name of 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde (CID 105472168) is 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde.
What is the SMILES notation for 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde?
The canonical SMILES for 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OC1C=CCC1.
What is the InChIKey of 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde?
The InChIKey is QHYSUKRQSCGRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-13-8-10(9-14)6-7-12(13)16-11-4-2-3-5-11/h2,4,6-9,11H,3,5H2,1H3.
What are the key properties of 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde?
4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde has a molecular weight of 218.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde is sourced from PubChem (CID 105472168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).