3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde

C14H17ClO2 — CID 81146297

IUPAC3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde
SMILESCC1CCCCC1Oc1ccc(C=O)cc1Cl
InChIInChI=1S/C14H17ClO2/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h6-10,13H,2-5H2,1H3
InChIKeyAADUIOLHYZHZDZ-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.11
Rot. Bonds3

About 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde

3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde (PubChem CID 81146297) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde
PubChem CID81146297
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde
SMILESCC1CCCCC1Oc1ccc(C=O)cc1Cl
InChIInChI=1S/C14H17ClO2/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h6-10,13H,2-5H2,1H3
InChIKeyAADUIOLHYZHZDZ-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.11
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 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde?
The IUPAC name of 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde (CID 81146297) is 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde?
The canonical SMILES for 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde is CC1CCCCC1Oc1ccc(C=O)cc1Cl.
What is the InChIKey of 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde?
The InChIKey is AADUIOLHYZHZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h6-10,13H,2-5H2,1H3.
What are the key properties of 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde?
3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde has a molecular weight of 252.74 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-methylcyclohexyl)oxybenzaldehyde is sourced from PubChem (CID 81146297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).