3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol

C20H15Cl2FO2 — CID 68531408

IUPAC3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol
SMILESOc1cc(Cl)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C20H15Cl2FO2/c21-18-10-16(24)11-19(22)17(18)9-13-3-6-20(25)14(8-13)7-12-1-4-15(23)5-2-12/h1-6,8,10-11,24-25H,7,9H2
InChIKeyJQJUUSMSCXMMSB-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.73
Rot. Bonds4

About 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol

3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol (PubChem CID 68531408) has the molecular formula C20H15Cl2FO2 and a molecular weight of 377.24 g/mol. Its IUPAC name is 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol
PubChem CID68531408
Molecular FormulaC20H15Cl2FO2
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol
SMILESOc1cc(Cl)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C20H15Cl2FO2/c21-18-10-16(24)11-19(22)17(18)9-13-3-6-20(25)14(8-13)7-12-1-4-15(23)5-2-12/h1-6,8,10-11,24-25H,7,9H2
InChIKeyJQJUUSMSCXMMSB-UHFFFAOYSA-N
XLogP5.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.24
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]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

4-[(2,6-dimethylphenyl)methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 141114288
4-bromo-2-[(4-fluorophenyl)methyl]phenol
CID 68530716
4-[(4-fluorophenyl)methyl]benzene-1,3-diol
CID 164899043
1-[3,5-dichloro-4-[[4-hydroxy-3-(thiophen-3-ylmethyl)phenyl]methyl]phenoxy]propan-2-one
CID 160867262
2-fluoro-4-[(4-fluorophenyl)methyl]phenol
CID 151291019
2-chloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
CID 175256749
methyl 2-[3,5-dichloro-4-[[4-hydroxy-3-(pyridin-4-ylmethyl)phenyl]methyl]phenoxy]acetate
CID 155686315
4-[[4-(diethoxyphosphorylmethoxy)-2,6-dimethylphenyl]methyl]-2-[(4-fluorophenyl)methyl]phenol
CID 90747684
6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
CID 102584547
2-[3,5-dichloro-4-[[3-(furan-3-ylmethyl)-4-hydroxyphenyl]methyl]phenoxy]acetic acid
CID 155686149
4-(2,6-dimethylphenoxy)-2-[(4-fluorophenyl)methyl]phenol
CID 141126761
2-[3,5-dichloro-4-[[4-hydroxy-3-(thiophen-2-ylmethyl)phenyl]methyl]phenoxy]acetic acid
CID 155686165

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol?
The IUPAC name of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol (CID 68531408) is 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol?
The canonical SMILES for 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol is Oc1cc(Cl)c(Cc2ccc(O)c(Cc3ccc(F)cc3)c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol?
The InChIKey is JQJUUSMSCXMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FO2/c21-18-10-16(24)11-19(22)17(18)9-13-3-6-20(25)14(8-13)7-12-1-4-15(23)5-2-12/h1-6,8,10-11,24-25H,7,9H2.
What are the key properties of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol?
3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol has a molecular weight of 377.24 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-hydroxyphenyl]methyl]phenol is sourced from PubChem (CID 68531408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).