2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one

C22H24O2 — CID 101351843

IUPAC2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one
SMILESCc1ccc(-c2oc3c(C)c(C)c(C)c(C)c3c(=O)c2C)cc1C
InChIInChI=1S/C22H24O2/c1-11-8-9-18(10-12(11)2)21-17(7)20(23)19-15(5)13(3)14(4)16(6)22(19)24-21/h8-10H,1-7H3
InChIKeySUXKSSUMXFGKIS-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.62
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one

2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one (PubChem CID 101351843) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one
PubChem CID101351843
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one
SMILESCc1ccc(-c2oc3c(C)c(C)c(C)c(C)c3c(=O)c2C)cc1C
InChIInChI=1S/C22H24O2/c1-11-8-9-18(10-12(11)2)21-17(7)20(23)19-15(5)13(3)14(4)16(6)22(19)24-21/h8-10H,1-7H3
InChIKeySUXKSSUMXFGKIS-UHFFFAOYSA-N
XLogP5.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one (CID 101351843) is 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one is Cc1ccc(-c2oc3c(C)c(C)c(C)c(C)c3c(=O)c2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one?
The InChIKey is SUXKSSUMXFGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O2/c1-11-8-9-18(10-12(11)2)21-17(7)20(23)19-15(5)13(3)14(4)16(6)22(19)24-21/h8-10H,1-7H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one?
2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one has a molecular weight of 320.43 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one is sourced from PubChem (CID 101351843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).