2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one

C34H22O6 — CID 102579300

IUPAC2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1C#Cc1cc(-c2cc(=O)c3ccccc3o2)ccc1OC
InChIInChI=1S/C34H22O6/c1-37-29-15-13-23(33-19-27(35)25-7-3-5-9-31(25)39-33)17-21(29)11-12-22-18-24(14-16-30(22)38-2)34-20-28(36)26-8-4-6-10-32(26)40-34/h3-10,13-20H,1-2H3
InChIKeySNZVCVHFRGSUKM-UHFFFAOYSA-N
MW526.54 g/mol
LogP6.65
Rot. Bonds4

About 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one

2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one (PubChem CID 102579300) has the molecular formula C34H22O6 and a molecular weight of 526.54 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
PubChem CID102579300
Molecular FormulaC34H22O6
Molecular Weight526.54 g/mol
Exact Mass526.14
IUPAC Name2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1C#Cc1cc(-c2cc(=O)c3ccccc3o2)ccc1OC
InChIInChI=1S/C34H22O6/c1-37-29-15-13-23(33-19-27(35)25-7-3-5-9-31(25)39-33)17-21(29)11-12-22-18-24(14-16-30(22)38-2)34-20-28(36)26-8-4-6-10-32(26)40-34/h3-10,13-20H,1-2H3
InChIKeySNZVCVHFRGSUKM-UHFFFAOYSA-N
XLogP6.65
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.54
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]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

Related Compounds

2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
2-(4-fluoro-3-methoxyphenyl)chromen-4-one
CID 134910411
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
2-ethynyl-4-(4-oxochromen-2-yl)benzoic acid
CID 162359833
2-(4-nitrophenyl)chromen-4-one
CID 622510
2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
CID 86059964
2-[4-[(E)-methoxyiminomethyl]phenyl]chromen-4-one
CID 10684060
5-hydroxy-7-methoxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 161118058
CID 159796273
CID 159796273

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one?
The IUPAC name of 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one (CID 102579300) is 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one?
The canonical SMILES for 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one is COc1ccc(-c2cc(=O)c3ccccc3o2)cc1C#Cc1cc(-c2cc(=O)c3ccccc3o2)ccc1OC.
What is the InChIKey of 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one?
The InChIKey is SNZVCVHFRGSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O6/c1-37-29-15-13-23(33-19-27(35)25-7-3-5-9-31(25)39-33)17-21(29)11-12-22-18-24(14-16-30(22)38-2)34-20-28(36)26-8-4-6-10-32(26)40-34/h3-10,13-20H,1-2H3.
What are the key properties of 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one?
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one has a molecular weight of 526.54 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one is sourced from PubChem (CID 102579300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).