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

C19H23ClO4 — CID 2285628

IUPAC1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCOCCOc1cc(C)ccc1Cl
InChIInChI=1S/C19H23ClO4/c1-14-4-6-16(20)18(12-14)24-11-9-22-8-10-23-17-7-5-15(2)13-19(17)21-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyAXMKTSJGFBNUGX-UHFFFAOYSA-N
MW350.84 g/mol
LogP4.44
Rot. Bonds9

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

1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene (PubChem CID 2285628) has the molecular formula C19H23ClO4 and a molecular weight of 350.84 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
PubChem CID2285628
Molecular FormulaC19H23ClO4
Molecular Weight350.84 g/mol
Exact Mass350.13
IUPAC Name1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCOCCOc1cc(C)ccc1Cl
InChIInChI=1S/C19H23ClO4/c1-14-4-6-16(20)18(12-14)24-11-9-22-8-10-23-17-7-5-15(2)13-19(17)21-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyAXMKTSJGFBNUGX-UHFFFAOYSA-N
XLogP4.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.84
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2284223
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
1,5-dichloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-3-methylbenzene
CID 2284246
1-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methyl-2-nitrobenzene
CID 2284208
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2276700
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene?
The IUPAC name of 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene (CID 2285628) is 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene?
The canonical SMILES for 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene is COc1cc(C)ccc1OCCOCCOc1cc(C)ccc1Cl.
What is the InChIKey of 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene?
The InChIKey is AXMKTSJGFBNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO4/c1-14-4-6-16(20)18(12-14)24-11-9-22-8-10-23-17-7-5-15(2)13-19(17)21-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene?
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene has a molecular weight of 350.84 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene is sourced from PubChem (CID 2285628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).