2-(2-chloro-4-methoxyphenyl)acetaldehyde

C9H9ClO2 — CID 55274760

IUPAC2-(2-chloro-4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(CC=O)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,5-6H,4H2,1H3
InChIKeyFNJIVHKDIKGFDU-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-chloro-4-methoxyphenyl)acetaldehyde

2-(2-chloro-4-methoxyphenyl)acetaldehyde (PubChem CID 55274760) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)acetaldehyde
PubChem CID55274760
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name2-(2-chloro-4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc(CC=O)c(Cl)c1
InChIInChI=1S/C9H9ClO2/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,5-6H,4H2,1H3
InChIKeyFNJIVHKDIKGFDU-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
CID 141352961
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
4-methoxy-2-(2-oxoethyl)benzoic acid
CID 75466148
2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
CID 86049649
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)acetaldehyde (CID 55274760) is 2-(2-chloro-4-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)acetaldehyde is COc1ccc(CC=O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)acetaldehyde?
The InChIKey is FNJIVHKDIKGFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c1-12-8-3-2-7(4-5-11)9(10)6-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)acetaldehyde?
2-(2-chloro-4-methoxyphenyl)acetaldehyde has a molecular weight of 184.62 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 55274760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).