1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene

C18H21ClO3 — CID 30135289

IUPAC1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
SMILESCCc1cc(OCCCOc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C18H21ClO3/c1-3-14-13-17(9-10-18(14)19)22-12-4-11-21-16-7-5-15(20-2)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRLOOOEGFZYLTOK-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.76
Rot. Bonds8

About 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene

1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene (PubChem CID 30135289) has the molecular formula C18H21ClO3 and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene.

Molecular Properties

Compound Name1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
PubChem CID30135289
Molecular FormulaC18H21ClO3
Molecular Weight320.82 g/mol
Exact Mass320.12
IUPAC Name1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene
SMILESCCc1cc(OCCCOc2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C18H21ClO3/c1-3-14-13-17(9-10-18(14)19)22-12-4-11-21-16-7-5-15(20-2)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRLOOOEGFZYLTOK-UHFFFAOYSA-N
XLogP4.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.76
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

4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
3-(4-chloro-3-ethylphenoxy)propanenitrile
CID 43212888
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
4-(4-chloro-3-ethylphenoxy)butanethioamide
CID 43247736
3-[2-(4-chloro-3-ethylphenoxy)ethoxy]benzonitrile
CID 43289881
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682
N-[2-(4-chloro-3-ethylphenoxy)ethyl]cyclopropanamine
CID 43247811
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
CID 973456
potassium (4-chloro-3-ethylphenoxy)methyl-trifluoroboranuide
CID 63701817
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene?
The IUPAC name of 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene (CID 30135289) is 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene.
What is the SMILES notation for 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene?
The canonical SMILES for 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene is CCc1cc(OCCCOc2ccc(OC)cc2)ccc1Cl.
What is the InChIKey of 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene?
The InChIKey is RLOOOEGFZYLTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO3/c1-3-14-13-17(9-10-18(14)19)22-12-4-11-21-16-7-5-15(20-2)6-8-16/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene?
1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene has a molecular weight of 320.82 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-4-[3-(4-methoxyphenoxy)propoxy]benzene is sourced from PubChem (CID 30135289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).