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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Related Compounds

(9R)-3-chloro-9-phenylxanthen-9-ol
CID 92531993
3-chloro-5,12,12-triphenyltetracen-5-ol
CID 163521956
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
9,10-diphenyl-2,6-bis[4-(N-phenylanilino)phenyl]anthracene-9,10-diol
CID 164545267
9-[5-chloro-2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-ol
CID 153297690
9-(4-methoxyphenyl)xanthen-9-ol
CID 139147484
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
2,7-dichloro-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole
CID 3711438
6-chloro-4-phenyl-[1,2,4]triazolo[4,3-a]indol-4-ol
CID 24973842
12-phenyl-12-(2,3,4-trifluorophenyl)-2,7,17-trioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-6,8,16,18-tetrone
CID 90710228

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).