2-chloro-4-methoxybenzaldehyde

C8H7ClO2 — CID 9361746

IUPAC2-chloro-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C8H7ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKeyYWGKOEQZKMSICW-UHFFFAOYSA-N
MW170.59 g/mol
LogP2.16
Rot. Bonds2

About 2-chloro-4-methoxybenzaldehyde

2-chloro-4-methoxybenzaldehyde (PubChem CID 9361746) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 2-chloro-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-methoxybenzaldehyde
PubChem CID9361746
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name2-chloro-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(Cl)c1
InChIInChI=1S/C8H7ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKeyYWGKOEQZKMSICW-UHFFFAOYSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 52.16
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-methoxybenzaldehyde?
The IUPAC name of 2-chloro-4-methoxybenzaldehyde (CID 9361746) is 2-chloro-4-methoxybenzaldehyde.
What is the SMILES notation for 2-chloro-4-methoxybenzaldehyde?
The canonical SMILES for 2-chloro-4-methoxybenzaldehyde is COc1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxybenzaldehyde?
The InChIKey is YWGKOEQZKMSICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3.
What are the key properties of 2-chloro-4-methoxybenzaldehyde?
2-chloro-4-methoxybenzaldehyde has a molecular weight of 170.59 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxybenzaldehyde is sourced from PubChem (CID 9361746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).