4-cyclopentyloxybenzaldehyde

C12H14O2 — CID 3152724

IUPAC4-cyclopentyloxybenzaldehyde
SMILESO=Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C12H14O2/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11/h5-9,11H,1-4H2
InChIKeyYURIAUHHAZFYPA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.82
Rot. Bonds3

About 4-cyclopentyloxybenzaldehyde

4-cyclopentyloxybenzaldehyde (PubChem CID 3152724) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-cyclopentyloxybenzaldehyde.

Molecular Properties

Compound Name4-cyclopentyloxybenzaldehyde
PubChem CID3152724
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-cyclopentyloxybenzaldehyde
SMILESO=Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C12H14O2/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11/h5-9,11H,1-4H2
InChIKeyYURIAUHHAZFYPA-UHFFFAOYSA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.82
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-cyclopropyloxybenzaldehyde
CID 71423039
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
4-(4-iodo-4-methylcyclohexyl)oxybenzaldehyde
CID 144776944
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
4-(2-cyclohexyloxyethoxy)benzaldehyde
CID 87224596
(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile
CID 82161373
1-bromo-4-cyclopentyloxybenzene
CID 22599958
2-[(4-cyclohexyloxyphenyl)methylidene]cyclohexan-1-one
CID 68642854

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxybenzaldehyde?
The IUPAC name of 4-cyclopentyloxybenzaldehyde (CID 3152724) is 4-cyclopentyloxybenzaldehyde.
What is the SMILES notation for 4-cyclopentyloxybenzaldehyde?
The canonical SMILES for 4-cyclopentyloxybenzaldehyde is O=Cc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxybenzaldehyde?
The InChIKey is YURIAUHHAZFYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-9-10-5-7-12(8-6-10)14-11-3-1-2-4-11/h5-9,11H,1-4H2.
What are the key properties of 4-cyclopentyloxybenzaldehyde?
4-cyclopentyloxybenzaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxybenzaldehyde is sourced from PubChem (CID 3152724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).