10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one

C28H22O3 — CID 139722204

IUPAC10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
SMILESCc1cccc(C2(c3cccc(C)c3O)c3ccccc3C(=O)c3ccccc32)c1O
InChIInChI=1S/C28H22O3/c1-17-9-7-15-23(25(17)29)28(24-16-8-10-18(2)26(24)30)21-13-5-3-11-19(21)27(31)20-12-4-6-14-22(20)28/h3-16,29-30H,1-2H3
InChIKeyMUJUXSBXCBIRHD-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.64
Rot. Bonds2

About 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one

10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one (PubChem CID 139722204) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one.

Molecular Properties

Compound Name10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
PubChem CID139722204
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one
SMILESCc1cccc(C2(c3cccc(C)c3O)c3ccccc3C(=O)c3ccccc32)c1O
InChIInChI=1S/C28H22O3/c1-17-9-7-15-23(25(17)29)28(24-16-8-10-18(2)26(24)30)21-13-5-3-11-19(21)27(31)20-12-4-6-14-22(20)28/h3-16,29-30H,1-2H3
InChIKeyMUJUXSBXCBIRHD-UHFFFAOYSA-N
XLogP5.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-bis(2-hydroxy-3-methylphenyl)-1H-indol-2-one
CID 54065813
3-[9-(3-hydroxy-2,4-dimethylphenyl)fluoren-9-yl]-2,6-dimethylphenol
CID 91418467
6-[9-(2-hydroxy-3,4-dimethylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 139903469
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
anthracene-9,10-dione;10,10-bis(3-bromo-4-hydroxy-5-methylphenyl)anthracen-9-one;10,10-bis(3-bromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(3,5-dibromo-4-hydroxyphenyl)anthracen-9-one;10,10-bis(4-hydroxy-3-methylphenyl)anthracen-9-one;carbanide;2,6-dimethylphenol;iodoform;vanadium
CID 163954284
CID 132991801
CID 132991801
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
2-methyl-6-phenylphenol
CID 12592481
2-(2,6-dimethylphenyl)-6-methylphenol
CID 101298816

Frequently Asked Questions

What is the IUPAC name of 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one?
The IUPAC name of 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one (CID 139722204) is 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one.
What is the SMILES notation for 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one?
The canonical SMILES for 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one is Cc1cccc(C2(c3cccc(C)c3O)c3ccccc3C(=O)c3ccccc32)c1O.
What is the InChIKey of 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one?
The InChIKey is MUJUXSBXCBIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c1-17-9-7-15-23(25(17)29)28(24-16-8-10-18(2)26(24)30)21-13-5-3-11-19(21)27(31)20-12-4-6-14-22(20)28/h3-16,29-30H,1-2H3.
What are the key properties of 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one?
10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one has a molecular weight of 406.48 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis(2-hydroxy-3-methylphenyl)anthracen-9-one is sourced from PubChem (CID 139722204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).