2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one

C28H38O3Sn — CID 11671100

IUPAC2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1
InChIInChI=1S/C16H11O3.3C4H9.Sn/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16;3*1-3-4-2;/h3-10H,1H3;3*1,3-4H2,2H3;
InChIKeyVAPDLCIVLTWHIE-UHFFFAOYSA-N
MW541.32 g/mol
LogP7.52
Rot. Bonds12

About 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one

2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one (PubChem CID 11671100) has the molecular formula C28H38O3Sn and a molecular weight of 541.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one
PubChem CID11671100
Molecular FormulaC28H38O3Sn
Molecular Weight541.32 g/mol
Exact Mass542.18
IUPAC Name2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1
InChIInChI=1S/C16H11O3.3C4H9.Sn/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16;3*1-3-4-2;/h3-10H,1H3;3*1,3-4H2,2H3;
InChIKeyVAPDLCIVLTWHIE-UHFFFAOYSA-N
XLogP7.52
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.32
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-6-tributylstannylchromen-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-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
tributyl-(4-methoxyphenyl)stannane
CID 2762547
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
4-hexoxy-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]benzamide
CID 108754323
2-(4-nonoxyphenyl)chromen-4-one
CID 10570795
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one (CID 11671100) is 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one is CCCC[Sn](CCCC)(CCCC)c1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one?
The InChIKey is VAPDLCIVLTWHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11O3.3C4H9.Sn/c1-18-12-8-6-11(7-9-12)16-10-14(17)13-4-2-3-5-15(13)19-16;3*1-3-4-2;/h3-10H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one?
2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one has a molecular weight of 541.32 g/mol, XLogP of 7.52, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one is sourced from PubChem (CID 11671100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).