3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol

C17H18Cl2O3 — CID 54186812

IUPAC3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol
SMILESCCc1ccc(OCCCOc2c(Cl)cc(O)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O3/c1-2-12-4-6-14(7-5-12)21-8-3-9-22-17-15(18)10-13(20)11-16(17)19/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyPFQRZEBDXPBKJF-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.11
Rot. Bonds7

About 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol

3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol (PubChem CID 54186812) has the molecular formula C17H18Cl2O3 and a molecular weight of 341.23 g/mol. Its IUPAC name is 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol
PubChem CID54186812
Molecular FormulaC17H18Cl2O3
Molecular Weight341.23 g/mol
Exact Mass340.06
IUPAC Name3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol
SMILESCCc1ccc(OCCCOc2c(Cl)cc(O)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2O3/c1-2-12-4-6-14(7-5-12)21-8-3-9-22-17-15(18)10-13(20)11-16(17)19/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyPFQRZEBDXPBKJF-UHFFFAOYSA-N
XLogP5.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.23
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3,5-dichlorophenol
CID 91234331
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
[4-[4-(2,6-dichloro-4-hydroxyphenoxy)butoxy]phenyl] N,N-dipropylcarbamate
CID 67719154
5-[[3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2923231
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
[4-[3-(2,6-dichloro-4-hydroxyphenoxy)propoxy]phenyl]-(2,5-dihydropyrrol-1-yl)methanone
CID 139747643
[4-[3-(2,6-dichloro-4-hydroxyphenoxy)propoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 67719390
4-[3-(4-chlorophenoxy)propoxy]-3,5-di(propan-2-yl)phenol
CID 54413932
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
1,3-dichloro-5-methyl-2-[2-(4-methylphenoxy)ethoxy]benzene
CID 58376578

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol (CID 54186812) is 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol is CCc1ccc(OCCCOc2c(Cl)cc(O)cc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol?
The InChIKey is PFQRZEBDXPBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O3/c1-2-12-4-6-14(7-5-12)21-8-3-9-22-17-15(18)10-13(20)11-16(17)19/h4-7,10-11,20H,2-3,8-9H2,1H3.
What are the key properties of 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol?
3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol has a molecular weight of 341.23 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[3-(4-ethylphenoxy)propoxy]phenol is sourced from PubChem (CID 54186812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).