2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol

C20H14Cl2O3 — CID 102489706

IUPAC2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol
SMILESCc1ccccc1C1c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21
InChIInChI=1S/C20H14Cl2O3/c1-10-4-2-3-5-11(10)20-12-6-14(21)16(23)8-18(12)25-19-9-17(24)15(22)7-13(19)20/h2-9,20,23-24H,1H3
InChIKeyDRNSIXBFBRMBCE-UHFFFAOYSA-N
MW373.24 g/mol
LogP6.00
Rot. Bonds1

About 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol

2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol (PubChem CID 102489706) has the molecular formula C20H14Cl2O3 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol.

Molecular Properties

Compound Name2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol
PubChem CID102489706
Molecular FormulaC20H14Cl2O3
Molecular Weight373.24 g/mol
Exact Mass372.03
IUPAC Name2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol
SMILESCc1ccccc1C1c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21
InChIInChI=1S/C20H14Cl2O3/c1-10-4-2-3-5-11(10)20-12-6-14(21)16(23)8-18(12)25-19-9-17(24)15(22)7-13(19)20/h2-9,20,23-24H,1H3
InChIKeyDRNSIXBFBRMBCE-UHFFFAOYSA-N
XLogP6.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol?
The IUPAC name of 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol (CID 102489706) is 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol.
What is the SMILES notation for 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol?
The canonical SMILES for 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol is Cc1ccccc1C1c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21.
What is the InChIKey of 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol?
The InChIKey is DRNSIXBFBRMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2O3/c1-10-4-2-3-5-11(10)20-12-6-14(21)16(23)8-18(12)25-19-9-17(24)15(22)7-13(19)20/h2-9,20,23-24H,1H3.
What are the key properties of 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol?
2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol has a molecular weight of 373.24 g/mol, XLogP of 6.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-9-(2-methylphenyl)-9H-xanthene-3,6-diol is sourced from PubChem (CID 102489706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).