5-chloro-2-ethyl-4-hydroxybenzaldehyde

C9H9ClO2 — CID 77174862

IUPAC5-chloro-2-ethyl-4-hydroxybenzaldehyde
SMILESCCc1cc(O)c(Cl)cc1C=O
InChIInChI=1S/C9H9ClO2/c1-2-6-4-9(12)8(10)3-7(6)5-11/h3-5,12H,2H2,1H3
InChIKeyCAZDVISMEBGGAP-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.42
Rot. Bonds2

About 5-chloro-2-ethyl-4-hydroxybenzaldehyde

5-chloro-2-ethyl-4-hydroxybenzaldehyde (PubChem CID 77174862) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 5-chloro-2-ethyl-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-ethyl-4-hydroxybenzaldehyde
PubChem CID77174862
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name5-chloro-2-ethyl-4-hydroxybenzaldehyde
SMILESCCc1cc(O)c(Cl)cc1C=O
InChIInChI=1S/C9H9ClO2/c1-2-6-4-9(12)8(10)3-7(6)5-11/h3-5,12H,2H2,1H3
InChIKeyCAZDVISMEBGGAP-UHFFFAOYSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 5-chloro-2-ethyl-4-hydroxybenzaldehyde?
The IUPAC name of 5-chloro-2-ethyl-4-hydroxybenzaldehyde (CID 77174862) is 5-chloro-2-ethyl-4-hydroxybenzaldehyde.
What is the SMILES notation for 5-chloro-2-ethyl-4-hydroxybenzaldehyde?
The canonical SMILES for 5-chloro-2-ethyl-4-hydroxybenzaldehyde is CCc1cc(O)c(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-ethyl-4-hydroxybenzaldehyde?
The InChIKey is CAZDVISMEBGGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-2-6-4-9(12)8(10)3-7(6)5-11/h3-5,12H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-4-hydroxybenzaldehyde?
5-chloro-2-ethyl-4-hydroxybenzaldehyde has a molecular weight of 184.62 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-4-hydroxybenzaldehyde is sourced from PubChem (CID 77174862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).