3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol

C14H11Cl3O2 — CID 10686994

IUPAC3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CCc2c(Cl)cc(O)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3O2/c15-12-5-9(18)3-1-8(12)2-4-11-13(16)6-10(19)7-14(11)17/h1,3,5-7,18-19H,2,4H2
InChIKeyRIYLSNJLNAINED-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.84
Rot. Bonds3

About 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol

3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol (PubChem CID 10686994) has the molecular formula C14H11Cl3O2 and a molecular weight of 317.60 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
PubChem CID10686994
Molecular FormulaC14H11Cl3O2
Molecular Weight317.60 g/mol
Exact Mass315.98
IUPAC Name3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(CCc2c(Cl)cc(O)cc2Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3O2/c15-12-5-9(18)3-1-8(12)2-4-11-13(16)6-10(19)7-14(11)17/h1,3,5-7,18-19H,2,4H2
InChIKeyRIYLSNJLNAINED-UHFFFAOYSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-4-(2-phenylethyl)phenol
CID 67216100
4-(aminomethyl)-3-chlorophenol;dihydrochloride
CID 133059883
3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
CID 101118969
3-chloro-4-prop-2-enylphenol
CID 70565458
3-chloro-4-[(dimethylamino)methyl]phenol
CID 58911429
(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
CID 174797793
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
(2-chloro-4-hydroxyphenyl)methanesulfinate
CID 174533594
3-chloro-4-(propan-2-ylsulfanylmethyl)phenol
CID 117219843
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618
bis(3,4-dichlorophenol);zirconium
CID 161397670
1,4-dichloro-2-[2-(2,4-dichlorophenyl)ethyl]benzene
CID 173469759

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol (CID 10686994) is 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol is Oc1ccc(CCc2c(Cl)cc(O)cc2Cl)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol?
The InChIKey is RIYLSNJLNAINED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O2/c15-12-5-9(18)3-1-8(12)2-4-11-13(16)6-10(19)7-14(11)17/h1,3,5-7,18-19H,2,4H2.
What are the key properties of 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol?
3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol has a molecular weight of 317.60 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-(2-chloro-4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 10686994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).