2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol

C15H13Cl3O2 — CID 24762920

IUPAC2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2c(Cl)ccc(O)c2Cl)cc1Cl
InChIInChI=1S/C15H13Cl3O2/c1-20-14-7-3-9(8-12(14)17)2-4-10-11(16)5-6-13(19)15(10)18/h3,5-8,19H,2,4H2,1H3
InChIKeyPBAYBNJYAVRJHR-UHFFFAOYSA-N
MW331.63 g/mol
LogP5.15
Rot. Bonds4

About 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol

2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol (PubChem CID 24762920) has the molecular formula C15H13Cl3O2 and a molecular weight of 331.63 g/mol. Its IUPAC name is 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
PubChem CID24762920
Molecular FormulaC15H13Cl3O2
Molecular Weight331.63 g/mol
Exact Mass330.00
IUPAC Name2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
SMILESCOc1ccc(CCc2c(Cl)ccc(O)c2Cl)cc1Cl
InChIInChI=1S/C15H13Cl3O2/c1-20-14-7-3-9(8-12(14)17)2-4-10-11(16)5-6-13(19)15(10)18/h3,5-8,19H,2,4H2,1H3
InChIKeyPBAYBNJYAVRJHR-UHFFFAOYSA-N
XLogP5.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.63
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-Dichlorophenoxy)-5-methylphenol
CID 22947105
2-(2,4-Dichlorophenoxy)-5-ethylphenol
CID 25023958
2-(2,4-Dichlorophenoxy)-5-propylphenol
CID 25023959
5-Butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
2-(2,4-Dichlorophenoxy)-5-(2-methylpropyl)phenol
CID 25023961
2-(2,4-Dichlorophenoxy)-5-(2-methylbutyl)phenol
CID 25023962
InhA-IN-7
CID 25023963
2-(2,4-Dichlorophenoxy)-5-pentylphenol
CID 145949874
2,6-Dichloro-3-hydroxy-4'-methoxybibenzyl
CID 24762917
2,4,6-Trichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol
CID 24762918
2,4,6,3'-Tetrachloro-3,4'-dihydroxybibenzyl
CID 24762996
2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol
CID 257459

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
The IUPAC name of 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol (CID 24762920) is 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol.
What is the SMILES notation for 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
The canonical SMILES for 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol is COc1ccc(CCc2c(Cl)ccc(O)c2Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
The InChIKey is PBAYBNJYAVRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O2/c1-20-14-7-3-9(8-12(14)17)2-4-10-11(16)5-6-13(19)15(10)18/h3,5-8,19H,2,4H2,1H3.
What are the key properties of 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol?
2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol has a molecular weight of 331.63 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[2-(3-chloro-4-methoxyphenyl)ethyl]phenol is sourced from PubChem (CID 24762920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).