2-(2-methoxy-3-methylcyclopentyl)benzaldehyde

C14H18O2 — CID 88745680

IUPAC2-(2-methoxy-3-methylcyclopentyl)benzaldehyde
SMILESCOC1C(C)CCC1c1ccccc1C=O
InChIInChI=1S/C14H18O2/c1-10-7-8-13(14(10)16-2)12-6-4-3-5-11(12)9-15/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyWEDYVUUDSNUBET-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.03
Rot. Bonds3

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

2-(2-methoxy-3-methylcyclopentyl)benzaldehyde (PubChem CID 88745680) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde.

Molecular Properties

Compound Name2-(2-methoxy-3-methylcyclopentyl)benzaldehyde
PubChem CID88745680
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-(2-methoxy-3-methylcyclopentyl)benzaldehyde
SMILESCOC1C(C)CCC1c1ccccc1C=O
InChIInChI=1S/C14H18O2/c1-10-7-8-13(14(10)16-2)12-6-4-3-5-11(12)9-15/h3-6,9-10,13-14H,7-8H2,1-2H3
InChIKeyWEDYVUUDSNUBET-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde?
The IUPAC name of 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde (CID 88745680) is 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde.
What is the SMILES notation for 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde?
The canonical SMILES for 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde is COC1C(C)CCC1c1ccccc1C=O.
What is the InChIKey of 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde?
The InChIKey is WEDYVUUDSNUBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-7-8-13(14(10)16-2)12-6-4-3-5-11(12)9-15/h3-6,9-10,13-14H,7-8H2,1-2H3.
What are the key properties of 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde?
2-(2-methoxy-3-methylcyclopentyl)benzaldehyde has a molecular weight of 218.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylcyclopentyl)benzaldehyde is sourced from PubChem (CID 88745680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).