1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene

C17H19ClO3 — CID 2283059

IUPAC1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
SMILESCOc1cc(C)ccc1OCCOc1c(C)cccc1Cl
InChIInChI=1S/C17H19ClO3/c1-12-7-8-15(16(11-12)19-3)20-9-10-21-17-13(2)5-4-6-14(17)18/h4-8,11H,9-10H2,1-3H3
InChIKeyIGNJAVMXMVAGPH-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.42
Rot. Bonds6

About 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene

1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene (PubChem CID 2283059) has the molecular formula C17H19ClO3 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
PubChem CID2283059
Molecular FormulaC17H19ClO3
Molecular Weight306.79 g/mol
Exact Mass306.10
IUPAC Name1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
SMILESCOc1cc(C)ccc1OCCOc1c(C)cccc1Cl
InChIInChI=1S/C17H19ClO3/c1-12-7-8-15(16(11-12)19-3)20-9-10-21-17-13(2)5-4-6-14(17)18/h4-8,11H,9-10H2,1-3H3
InChIKeyIGNJAVMXMVAGPH-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
The IUPAC name of 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene (CID 2283059) is 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene.
What is the SMILES notation for 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
The canonical SMILES for 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene is COc1cc(C)ccc1OCCOc1c(C)cccc1Cl.
What is the InChIKey of 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
The InChIKey is IGNJAVMXMVAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO3/c1-12-7-8-15(16(11-12)19-3)20-9-10-21-17-13(2)5-4-6-14(17)18/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene?
1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene has a molecular weight of 306.79 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene is sourced from PubChem (CID 2283059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).