9,10-bis(4-methylphenyl)anthracene-9,10-diol

C28H24O2 — CID 15612352

IUPAC9,10-bis(4-methylphenyl)anthracene-9,10-diol
SMILESCc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C28H24O2/c1-19-11-15-21(16-12-19)27(29)23-7-3-5-9-25(23)28(30,22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27/h3-18,29-30H,1-2H3
InChIKeyOSEHBGZOVPNBNK-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.19
Rot. Bonds2

About 9,10-bis(4-methylphenyl)anthracene-9,10-diol

9,10-bis(4-methylphenyl)anthracene-9,10-diol (PubChem CID 15612352) has the molecular formula C28H24O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 9,10-bis(4-methylphenyl)anthracene-9,10-diol.

Molecular Properties

Compound Name9,10-bis(4-methylphenyl)anthracene-9,10-diol
PubChem CID15612352
Molecular FormulaC28H24O2
Molecular Weight392.50 g/mol
Exact Mass392.18
IUPAC Name9,10-bis(4-methylphenyl)anthracene-9,10-diol
SMILESCc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C28H24O2/c1-19-11-15-21(16-12-19)27(29)23-7-3-5-9-25(23)28(30,22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27/h3-18,29-30H,1-2H3
InChIKeyOSEHBGZOVPNBNK-UHFFFAOYSA-N
XLogP5.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-methylphenyl)anthracene-9,10-diol?
The IUPAC name of 9,10-bis(4-methylphenyl)anthracene-9,10-diol (CID 15612352) is 9,10-bis(4-methylphenyl)anthracene-9,10-diol.
What is the SMILES notation for 9,10-bis(4-methylphenyl)anthracene-9,10-diol?
The canonical SMILES for 9,10-bis(4-methylphenyl)anthracene-9,10-diol is Cc1ccc(C2(O)c3ccccc3C(O)(c3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 9,10-bis(4-methylphenyl)anthracene-9,10-diol?
The InChIKey is OSEHBGZOVPNBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2/c1-19-11-15-21(16-12-19)27(29)23-7-3-5-9-25(23)28(30,22-17-13-20(2)14-18-22)26-10-6-4-8-24(26)27/h3-18,29-30H,1-2H3.
What are the key properties of 9,10-bis(4-methylphenyl)anthracene-9,10-diol?
9,10-bis(4-methylphenyl)anthracene-9,10-diol has a molecular weight of 392.50 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(4-methylphenyl)anthracene-9,10-diol is sourced from PubChem (CID 15612352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).