6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one

C40H38O9 — CID 45272447

IUPAC6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESCc1ccc2oc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C40H38O9/c1-27-3-13-37-33(23-27)35(41)25-39(48-37)29-5-9-31(10-6-29)46-21-19-44-17-15-43-16-18-45-20-22-47-32-11-7-30(8-12-32)40-26-36(42)34-24-28(2)4-14-38(34)49-40/h3-14,23-26H,15-22H2,1-2H3
InChIKeyPWECLCSATSJKOO-UHFFFAOYSA-N
MW662.73 g/mol
LogP7.36
Rot. Bonds16

About 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one

6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one (PubChem CID 45272447) has the molecular formula C40H38O9 and a molecular weight of 662.73 g/mol. Its IUPAC name is 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one.

Molecular Properties

Compound Name6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
PubChem CID45272447
Molecular FormulaC40H38O9
Molecular Weight662.73 g/mol
Exact Mass662.25
IUPAC Name6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one
SMILESCc1ccc2oc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C40H38O9/c1-27-3-13-37-33(23-27)35(41)25-39(48-37)29-5-9-31(10-6-29)46-21-19-44-17-15-43-16-18-45-20-22-47-32-11-7-30(8-12-32)40-26-36(42)34-24-28(2)4-14-38(34)49-40/h3-14,23-26H,15-22H2,1-2H3
InChIKeyPWECLCSATSJKOO-UHFFFAOYSA-N
XLogP7.36
TPSA106.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.73
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
The IUPAC name of 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one (CID 45272447) is 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one.
What is the SMILES notation for 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
The canonical SMILES for 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one is Cc1ccc2oc(-c3ccc(OCCOCCOCCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
The InChIKey is PWECLCSATSJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O9/c1-27-3-13-37-33(23-27)35(41)25-39(48-37)29-5-9-31(10-6-29)46-21-19-44-17-15-43-16-18-45-20-22-47-32-11-7-30(8-12-32)40-26-36(42)34-24-28(2)4-14-38(34)49-40/h3-14,23-26H,15-22H2,1-2H3.
What are the key properties of 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one?
6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one has a molecular weight of 662.73 g/mol, XLogP of 7.36, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[2-[2-[2-[2-[4-(6-methyl-4-oxochromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]chromen-4-one is sourced from PubChem (CID 45272447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).