4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol

C20H16Cl2O2 — CID 21293255

IUPAC4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2O2/c1-20(13-2-7-16(23)8-3-13,14-4-9-17(24)10-5-14)15-6-11-18(21)19(22)12-15/h2-12,23-24H,1H3
InChIKeyYFHBZYTWHRJUBY-UHFFFAOYSA-N
MW359.25 g/mol
LogP5.76
Rot. Bonds3

About 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol

4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 21293255) has the molecular formula C20H16Cl2O2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
PubChem CID21293255
Molecular FormulaC20H16Cl2O2
Molecular Weight359.25 g/mol
Exact Mass358.05
IUPAC Name4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H16Cl2O2/c1-20(13-2-7-16(23)8-3-13,14-4-9-17(24)10-5-14)15-6-11-18(21)19(22)12-15/h2-12,23-24H,1H3
InChIKeyYFHBZYTWHRJUBY-UHFFFAOYSA-N
XLogP5.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[1-(3,4-dichlorophenyl)-2-hydroxypropan-2-yl]phenol
CID 83075227
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
1,2-dichloro-4-(trichloromethyl)benzene
CID 25608
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
4-[1-(4-hydroxy-3-methylphenyl)-1-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]ethyl]-2-methylphenol
CID 22392546
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
bis(3,4-dichlorophenol);zirconium
CID 161397670
4-(3,4-dichlorophenyl)phenol
CID 6452909

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol (CID 21293255) is 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is YFHBZYTWHRJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2O2/c1-20(13-2-7-16(23)8-3-13,14-4-9-17(24)10-5-14)15-6-11-18(21)19(22)12-15/h2-12,23-24H,1H3.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol?
4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 359.25 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-1-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 21293255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).