4-cyclopropyloxybenzaldehyde

C10H10O2 — CID 71423039

IUPAC4-cyclopropyloxybenzaldehyde
SMILESO=Cc1ccc(OC2CC2)cc1
InChIInChI=1S/C10H10O2/c11-7-8-1-3-9(4-2-8)12-10-5-6-10/h1-4,7,10H,5-6H2
InChIKeyYQJGBZSDKXLBIA-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.04
Rot. Bonds3

About 4-cyclopropyloxybenzaldehyde

4-cyclopropyloxybenzaldehyde (PubChem CID 71423039) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-cyclopropyloxybenzaldehyde.

Molecular Properties

Compound Name4-cyclopropyloxybenzaldehyde
PubChem CID71423039
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-cyclopropyloxybenzaldehyde
SMILESO=Cc1ccc(OC2CC2)cc1
InChIInChI=1S/C10H10O2/c11-7-8-1-3-9(4-2-8)12-10-5-6-10/h1-4,7,10H,5-6H2
InChIKeyYQJGBZSDKXLBIA-UHFFFAOYSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.04
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-cyclopentyloxybenzaldehyde
CID 3152724
4-(4-iodo-4-methylcyclohexyl)oxybenzaldehyde
CID 144776944
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
4-[(1R,2R)-2-hydroxycyclopentyl]oxybenzaldehyde
CID 87176687
4-(2-hydroxycyclopentyl)oxybenzaldehyde
CID 60886464
6-(4-methylcyclohexyl)oxynaphthalene-2-carbaldehyde
CID 118243893
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
4-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzaldehyde;2,2,2-trifluoroacetic acid
CID 138597318

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyloxybenzaldehyde?
The IUPAC name of 4-cyclopropyloxybenzaldehyde (CID 71423039) is 4-cyclopropyloxybenzaldehyde.
What is the SMILES notation for 4-cyclopropyloxybenzaldehyde?
The canonical SMILES for 4-cyclopropyloxybenzaldehyde is O=Cc1ccc(OC2CC2)cc1.
What is the InChIKey of 4-cyclopropyloxybenzaldehyde?
The InChIKey is YQJGBZSDKXLBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-7-8-1-3-9(4-2-8)12-10-5-6-10/h1-4,7,10H,5-6H2.
What are the key properties of 4-cyclopropyloxybenzaldehyde?
4-cyclopropyloxybenzaldehyde has a molecular weight of 162.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyloxybenzaldehyde is sourced from PubChem (CID 71423039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).