6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one

C23H18O2 — CID 177165667

IUPAC6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one
SMILESCc1ccccc1C1=C(c2ccccc2C)c2ccc(O)cc2C1=O
InChIInChI=1S/C23H18O2/c1-14-7-3-5-9-17(14)21-19-12-11-16(24)13-20(19)23(25)22(21)18-10-6-4-8-15(18)2/h3-13,24H,1-2H3
InChIKeyHFEFWIVJGLQUQR-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.16
Rot. Bonds2

About 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one

6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one (PubChem CID 177165667) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one.

Molecular Properties

Compound Name6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one
PubChem CID177165667
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one
SMILESCc1ccccc1C1=C(c2ccccc2C)c2ccc(O)cc2C1=O
InChIInChI=1S/C23H18O2/c1-14-7-3-5-9-17(14)21-19-12-11-16(24)13-20(19)23(25)22(21)18-10-6-4-8-15(18)2/h3-13,24H,1-2H3
InChIKeyHFEFWIVJGLQUQR-UHFFFAOYSA-N
XLogP5.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 10125667
3,5-dimethyl-4-(2-methylphenyl)phenol
CID 21281420
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
3-(1,3-dioxan-2-yl)-4-(2-methylphenyl)phenol
CID 90820131
benzene-1,4-diol;bis(1,2-xylene)
CID 175366536
3,4-dimethyl-2-(2-methylphenyl)-5-phenylcyclopenta-2,4-dien-1-one
CID 139975422

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one?
The IUPAC name of 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one (CID 177165667) is 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one.
What is the SMILES notation for 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one?
The canonical SMILES for 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one is Cc1ccccc1C1=C(c2ccccc2C)c2ccc(O)cc2C1=O.
What is the InChIKey of 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one?
The InChIKey is HFEFWIVJGLQUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c1-14-7-3-5-9-17(14)21-19-12-11-16(24)13-20(19)23(25)22(21)18-10-6-4-8-15(18)2/h3-13,24H,1-2H3.
What are the key properties of 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one?
6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one has a molecular weight of 326.40 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-bis(2-methylphenyl)inden-1-one is sourced from PubChem (CID 177165667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).