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

C18H21ClO3 — CID 2899624

IUPAC1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCCOc1cc(C)ccc1Cl
InChIInChI=1S/C18H21ClO3/c1-13-5-7-15(19)17(11-13)22-10-4-9-21-16-8-6-14(2)12-18(16)20-3/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyUQLBANUOJDKQTK-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.81
Rot. Bonds7

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

1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene (PubChem CID 2899624) has the molecular formula C18H21ClO3 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
PubChem CID2899624
Molecular FormulaC18H21ClO3
Molecular Weight320.82 g/mol
Exact Mass320.12
IUPAC Name1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
SMILESCOc1cc(C)ccc1OCCCOc1cc(C)ccc1Cl
InChIInChI=1S/C18H21ClO3/c1-13-5-7-15(19)17(11-13)22-10-4-9-21-16-8-6-14(2)12-18(16)20-3/h5-8,11-12H,4,9-10H2,1-3H3
InChIKeyUQLBANUOJDKQTK-UHFFFAOYSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.81
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

1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
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
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2288865

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene?
The IUPAC name of 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene (CID 2899624) is 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene.
What is the SMILES notation for 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene?
The canonical SMILES for 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene is COc1cc(C)ccc1OCCCOc1cc(C)ccc1Cl.
What is the InChIKey of 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene?
The InChIKey is UQLBANUOJDKQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO3/c1-13-5-7-15(19)17(11-13)22-10-4-9-21-16-8-6-14(2)12-18(16)20-3/h5-8,11-12H,4,9-10H2,1-3H3.
What are the key properties of 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene?
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene has a molecular weight of 320.82 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene is sourced from PubChem (CID 2899624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).