3,6-dichloro-9-phenylxanthen-9-ol

C19H12Cl2O2 — CID 159187937

IUPAC3,6-dichloro-9-phenylxanthen-9-ol
SMILESOC1(c2ccccc2)c2ccc(Cl)cc2Oc2cc(Cl)ccc21
InChIInChI=1S/C19H12Cl2O2/c20-13-6-8-15-17(10-13)23-18-11-14(21)7-9-16(18)19(15,22)12-4-2-1-3-5-12/h1-11,22H
InChIKeyKNSNYXCXRICOKD-UHFFFAOYSA-N
MW343.21 g/mol
LogP5.38
Rot. Bonds1

About 3,6-dichloro-9-phenylxanthen-9-ol

3,6-dichloro-9-phenylxanthen-9-ol (PubChem CID 159187937) has the molecular formula C19H12Cl2O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 3,6-dichloro-9-phenylxanthen-9-ol.

Molecular Properties

Compound Name3,6-dichloro-9-phenylxanthen-9-ol
PubChem CID159187937
Molecular FormulaC19H12Cl2O2
Molecular Weight343.21 g/mol
Exact Mass342.02
IUPAC Name3,6-dichloro-9-phenylxanthen-9-ol
SMILESOC1(c2ccccc2)c2ccc(Cl)cc2Oc2cc(Cl)ccc21
InChIInChI=1S/C19H12Cl2O2/c20-13-6-8-15-17(10-13)23-18-11-14(21)7-9-16(18)19(15,22)12-4-2-1-3-5-12/h1-11,22H
InChIKeyKNSNYXCXRICOKD-UHFFFAOYSA-N
XLogP5.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.21
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-9-phenylxanthen-9-ol?
The IUPAC name of 3,6-dichloro-9-phenylxanthen-9-ol (CID 159187937) is 3,6-dichloro-9-phenylxanthen-9-ol.
What is the SMILES notation for 3,6-dichloro-9-phenylxanthen-9-ol?
The canonical SMILES for 3,6-dichloro-9-phenylxanthen-9-ol is OC1(c2ccccc2)c2ccc(Cl)cc2Oc2cc(Cl)ccc21.
What is the InChIKey of 3,6-dichloro-9-phenylxanthen-9-ol?
The InChIKey is KNSNYXCXRICOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2O2/c20-13-6-8-15-17(10-13)23-18-11-14(21)7-9-16(18)19(15,22)12-4-2-1-3-5-12/h1-11,22H.
What are the key properties of 3,6-dichloro-9-phenylxanthen-9-ol?
3,6-dichloro-9-phenylxanthen-9-ol has a molecular weight of 343.21 g/mol, XLogP of 5.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-9-phenylxanthen-9-ol is sourced from PubChem (CID 159187937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).