3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol

C16H10Cl2O3 — CID 71625175

IUPAC3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol
SMILESOc1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
InChIKeyXJYKKIXCQQOKHH-UHFFFAOYSA-N
MW321.16 g/mol
LogP5.33
Rot. Bonds2

About 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol

3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol (PubChem CID 71625175) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol
PubChem CID71625175
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol
SMILESOc1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
InChIKeyXJYKKIXCQQOKHH-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.16
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
The IUPAC name of 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol (CID 71625175) is 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol.
What is the SMILES notation for 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
The canonical SMILES for 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol is Oc1ccc(-c2cocc2-c2ccc(O)cc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
The InChIKey is XJYKKIXCQQOKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c17-15-5-9(19)1-3-11(15)13-7-21-8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H.
What are the key properties of 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol?
3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol has a molecular weight of 321.16 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(2-chloro-4-hydroxyphenyl)furan-3-yl]phenol is sourced from PubChem (CID 71625175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).