6-chloro-2,3-diphenylphenol

C18H13ClO — CID 174572078

IUPAC6-chloro-2,3-diphenylphenol
SMILESOc1c(Cl)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H13ClO/c19-16-12-11-15(13-7-3-1-4-8-13)17(18(16)20)14-9-5-2-6-10-14/h1-12,20H
InChIKeyFLHWIUNSUZBDGX-UHFFFAOYSA-N
MW280.75 g/mol
LogP5.38
Rot. Bonds2

About 6-chloro-2,3-diphenylphenol

6-chloro-2,3-diphenylphenol (PubChem CID 174572078) has the molecular formula C18H13ClO and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-chloro-2,3-diphenylphenol.

Molecular Properties

Compound Name6-chloro-2,3-diphenylphenol
PubChem CID174572078
Molecular FormulaC18H13ClO
Molecular Weight280.75 g/mol
Exact Mass280.07
IUPAC Name6-chloro-2,3-diphenylphenol
SMILESOc1c(Cl)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H13ClO/c19-16-12-11-15(13-7-3-1-4-8-13)17(18(16)20)14-9-5-2-6-10-14/h1-12,20H
InChIKeyFLHWIUNSUZBDGX-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.75
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-diphenylphenol?
The IUPAC name of 6-chloro-2,3-diphenylphenol (CID 174572078) is 6-chloro-2,3-diphenylphenol.
What is the SMILES notation for 6-chloro-2,3-diphenylphenol?
The canonical SMILES for 6-chloro-2,3-diphenylphenol is Oc1c(Cl)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 6-chloro-2,3-diphenylphenol?
The InChIKey is FLHWIUNSUZBDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO/c19-16-12-11-15(13-7-3-1-4-8-13)17(18(16)20)14-9-5-2-6-10-14/h1-12,20H.
What are the key properties of 6-chloro-2,3-diphenylphenol?
6-chloro-2,3-diphenylphenol has a molecular weight of 280.75 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-diphenylphenol is sourced from PubChem (CID 174572078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).