2-chloro-4-propan-2-yloxybenzaldehyde

C10H11ClO2 — CID 75355406

IUPAC2-chloro-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-7H,1-2H3
InChIKeyVWYLGMZJXPCPRV-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-4-propan-2-yloxybenzaldehyde

2-chloro-4-propan-2-yloxybenzaldehyde (PubChem CID 75355406) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-propan-2-yloxybenzaldehyde
PubChem CID75355406
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-chloro-4-propan-2-yloxybenzaldehyde
SMILESCC(C)Oc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-7H,1-2H3
InChIKeyVWYLGMZJXPCPRV-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.94
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-chloro-4-propan-2-yloxybenzaldehyde?
The IUPAC name of 2-chloro-4-propan-2-yloxybenzaldehyde (CID 75355406) is 2-chloro-4-propan-2-yloxybenzaldehyde.
What is the SMILES notation for 2-chloro-4-propan-2-yloxybenzaldehyde?
The canonical SMILES for 2-chloro-4-propan-2-yloxybenzaldehyde is CC(C)Oc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-propan-2-yloxybenzaldehyde?
The InChIKey is VWYLGMZJXPCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-propan-2-yloxybenzaldehyde?
2-chloro-4-propan-2-yloxybenzaldehyde has a molecular weight of 198.65 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yloxybenzaldehyde is sourced from PubChem (CID 75355406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).