3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde

C10H11ClO3 — CID 164895663

IUPAC3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
SMILESCOCOc1c(C=O)ccc(C)c1Cl
InChIInChI=1S/C10H11ClO3/c1-7-3-4-8(5-12)10(9(7)11)14-6-13-2/h3-5H,6H2,1-2H3
InChIKeyRAJUNTHZCXJTHK-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.44
Rot. Bonds4

About 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde

3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde (PubChem CID 164895663) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
PubChem CID164895663
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde
SMILESCOCOc1c(C=O)ccc(C)c1Cl
InChIInChI=1S/C10H11ClO3/c1-7-3-4-8(5-12)10(9(7)11)14-6-13-2/h3-5H,6H2,1-2H3
InChIKeyRAJUNTHZCXJTHK-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164894284
2,4-bis(methoxymethoxy)-3-methylbenzaldehyde
CID 140672878
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
2-chloro-3-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649741
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
2-chloro-4-methylbenzene-1,3-dicarbaldehyde
CID 141225614
6,10,19-tris(methoxymethoxy)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene-3,13,16-tricarbaldehyde
CID 102346348
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde?
The IUPAC name of 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde (CID 164895663) is 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde.
What is the SMILES notation for 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde?
The canonical SMILES for 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde is COCOc1c(C=O)ccc(C)c1Cl.
What is the InChIKey of 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde?
The InChIKey is RAJUNTHZCXJTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-7-3-4-8(5-12)10(9(7)11)14-6-13-2/h3-5H,6H2,1-2H3.
What are the key properties of 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde?
3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde has a molecular weight of 214.65 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(methoxymethoxy)-4-methylbenzaldehyde is sourced from PubChem (CID 164895663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).