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

C16H17ClO3 — CID 2898830

IUPAC2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
SMILESCOc1cccc(OCCOc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H17ClO3/c1-12-6-7-16(15(17)10-12)20-9-8-19-14-5-3-4-13(11-14)18-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyNAONKGJEIKTXDP-UHFFFAOYSA-N
MW292.76 g/mol
LogP4.11
Rot. Bonds6

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

2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene (PubChem CID 2898830) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene.

Molecular Properties

Compound Name2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
PubChem CID2898830
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
SMILESCOc1cccc(OCCOc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H17ClO3/c1-12-6-7-16(15(17)10-12)20-9-8-19-14-5-3-4-13(11-14)18-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyNAONKGJEIKTXDP-UHFFFAOYSA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 54.11
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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Related Compounds

2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 2283471
1-chloro-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]naphthalene
CID 2898841
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1-[3-(3-methoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2284165
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
[4-[2-(2-chloro-4-methylphenoxy)ethoxy]phenyl]boronic acid
CID 62673438
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934
5-methoxy-2-[3-(3-methylphenoxy)propoxy]aniline
CID 82097157
5-methoxy-2-[4-(3-methylphenoxy)butoxy]aniline
CID 82097281
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
1-[4-(3-methoxyphenoxy)butoxy]-2,3-dimethylbenzene
CID 2252067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene?
The IUPAC name of 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene (CID 2898830) is 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene.
What is the SMILES notation for 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene?
The canonical SMILES for 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene is COc1cccc(OCCOc2ccc(C)cc2Cl)c1.
What is the InChIKey of 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene?
The InChIKey is NAONKGJEIKTXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-12-6-7-16(15(17)10-12)20-9-8-19-14-5-3-4-13(11-14)18-2/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene?
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene has a molecular weight of 292.76 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene is sourced from PubChem (CID 2898830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).