1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene

C12H17ClO2 — CID 116932279

IUPAC1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
SMILESCOCc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C12H17ClO2/c1-7-8(2)12(15-5)10(6-14-4)9(3)11(7)13/h6H2,1-5H3
InChIKeyISCKRFOCRRYCEJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.42
Rot. Bonds3

About 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene

1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene (PubChem CID 116932279) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
PubChem CID116932279
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
SMILESCOCc1c(C)c(Cl)c(C)c(C)c1OC
InChIInChI=1S/C12H17ClO2/c1-7-8(2)12(15-5)10(6-14-4)9(3)11(7)13/h6H2,1-5H3
InChIKeyISCKRFOCRRYCEJ-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene 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

1-bromo-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932278
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)propanenitrile
CID 116927395
1-chloro-3-(isocyanatomethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 117114761
2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-N-ethyl-N-methylethanamine
CID 115259671
3-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]azetidine
CID 116925360
2-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]acetaldehyde
CID 115223010
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 116925315
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112862
1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808
1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
CID 134197646
1-methoxy-4-(methoxymethyl)-2,3-dimethylnaphthalene
CID 90738504

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene?
The IUPAC name of 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene (CID 116932279) is 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene.
What is the SMILES notation for 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene?
The canonical SMILES for 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene is COCc1c(C)c(Cl)c(C)c(C)c1OC.
What is the InChIKey of 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene?
The InChIKey is ISCKRFOCRRYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7-8(2)12(15-5)10(6-14-4)9(3)11(7)13/h6H2,1-5H3.
What are the key properties of 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene?
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene has a molecular weight of 228.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene is sourced from PubChem (CID 116932279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).