(6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite

C18H12Cl2O2 — CID 175042098

IUPAC(6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite
SMILESOc1cc(Cl)c(OCl)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H12Cl2O2/c19-14-11-15(21)16(12-7-3-1-4-8-12)17(18(14)22-20)13-9-5-2-6-10-13/h1-11,21H
InChIKeyILMBEJMERBAZKK-UHFFFAOYSA-N
MW331.20 g/mol
LogP5.91
Rot. Bonds3

About (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite

(6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite (PubChem CID 175042098) has the molecular formula C18H12Cl2O2 and a molecular weight of 331.20 g/mol. Its IUPAC name is (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite.

Molecular Properties

Compound Name(6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite
PubChem CID175042098
Molecular FormulaC18H12Cl2O2
Molecular Weight331.20 g/mol
Exact Mass330.02
IUPAC Name(6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite
SMILESOc1cc(Cl)c(OCl)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H12Cl2O2/c19-14-11-15(21)16(12-7-3-1-4-8-12)17(18(14)22-20)13-9-5-2-6-10-13/h1-11,21H
InChIKeyILMBEJMERBAZKK-UHFFFAOYSA-N
XLogP5.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.20
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichloro-3,4-diphenylnaphthalen-2-ol
CID 170563518
1,4-dichloronaphthalen-2-ol
CID 12578005
1,1'-biphenyl;2-chlorophenol
CID 174555563
3-chloro-5,6,7,8-tetraphenylnaphthalen-1-ol
CID 177437957
4,5-diamino-2,3-diphenylphenol
CID 154143783
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
7-methoxy-3,4-diphenylnaphthalen-2-ol
CID 170563506
4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
3,5-dihydroxy-4-phenylbenzoic acid
CID 45116831
3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
CID 54314779
3,5-dihydroxy-4-phenylbenzaldehyde
CID 178159444
6-chloro-2,3-diphenylphenol
CID 174572078

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite?
The IUPAC name of (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite (CID 175042098) is (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite.
What is the SMILES notation for (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite?
The canonical SMILES for (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite is Oc1cc(Cl)c(OCl)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite?
The InChIKey is ILMBEJMERBAZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O2/c19-14-11-15(21)16(12-7-3-1-4-8-12)17(18(14)22-20)13-9-5-2-6-10-13/h1-11,21H.
What are the key properties of (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite?
(6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite has a molecular weight of 331.20 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-hydroxy-2,3-diphenylphenyl) hypochlorite is sourced from PubChem (CID 175042098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).