3,5-dichloro-4-propan-2-yloxybenzaldehyde

C10H10Cl2O2 — CID 890870

IUPAC3,5-dichloro-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-6H,1-2H3
InChIKeyZSUPYLWHFXVVDP-UHFFFAOYSA-N
MW233.09 g/mol
LogP3.59
Rot. Bonds3

About 3,5-dichloro-4-propan-2-yloxybenzaldehyde

3,5-dichloro-4-propan-2-yloxybenzaldehyde (PubChem CID 890870) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 3,5-dichloro-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-propan-2-yloxybenzaldehyde
PubChem CID890870
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name3,5-dichloro-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C10H10Cl2O2/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-6H,1-2H3
InChIKeyZSUPYLWHFXVVDP-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 53.59
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 3,5-dichloro-4-propan-2-yloxybenzaldehyde?
The IUPAC name of 3,5-dichloro-4-propan-2-yloxybenzaldehyde (CID 890870) is 3,5-dichloro-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for 3,5-dichloro-4-propan-2-yloxybenzaldehyde is CC(C)Oc1c(Cl)cc(C=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-propan-2-yloxybenzaldehyde?
The InChIKey is ZSUPYLWHFXVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c1-6(2)14-10-8(11)3-7(5-13)4-9(10)12/h3-6H,1-2H3.
What are the key properties of 3,5-dichloro-4-propan-2-yloxybenzaldehyde?
3,5-dichloro-4-propan-2-yloxybenzaldehyde has a molecular weight of 233.09 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 890870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).