2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde

C10H11ClO3 — CID 83835537

IUPAC2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde
SMILESCOc1ccc(Cl)cc1C(C=O)OC
InChIInChI=1S/C10H11ClO3/c1-13-9-4-3-7(11)5-8(9)10(6-12)14-2/h3-6,10H,1-2H3
InChIKeyQXGVZADAPBAADP-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde

2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde (PubChem CID 83835537) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde
PubChem CID83835537
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde
SMILESCOc1ccc(Cl)cc1C(C=O)OC
InChIInChI=1S/C10H11ClO3/c1-13-9-4-3-7(11)5-8(9)10(6-12)14-2/h3-6,10H,1-2H3
InChIKeyQXGVZADAPBAADP-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
3-(5-chloro-2-methoxyphenyl)butanal
CID 83835315
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1R)-1-(5-chloro-2-methoxyphenyl)prop-2-en-1-amine
CID 131139061
(E)-4-amino-4-(5-chloro-2-methoxyphenyl)but-2-enoic acid
CID 116940825
1-(5-chloro-2-methoxyphenyl)prop-2-enylhydrazine
CID 105318028
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
2-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetaldehyde
CID 89497006
2-(1-bromopropan-2-yl)-4-chloro-1-methoxybenzene
CID 82091358

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde (CID 83835537) is 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde is COc1ccc(Cl)cc1C(C=O)OC.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde?
The InChIKey is QXGVZADAPBAADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-9-4-3-7(11)5-8(9)10(6-12)14-2/h3-6,10H,1-2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde?
2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde has a molecular weight of 214.65 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde is sourced from PubChem (CID 83835537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).