3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one

C22H18O5 — CID 5073343

IUPAC3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
SMILESCOc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc(OC)c1OC
InChIInChI=1S/C22H18O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-16(23)21-15-7-5-4-6-13(15)8-9-17(21)27-18/h4-12H,1-3H3
InChIKeyHXRGYQMZSNYIEW-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.64
Rot. Bonds4

About 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one

3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one (PubChem CID 5073343) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
PubChem CID5073343
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
SMILESCOc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc(OC)c1OC
InChIInChI=1S/C22H18O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-16(23)21-15-7-5-4-6-13(15)8-9-17(21)27-18/h4-12H,1-3H3
InChIKeyHXRGYQMZSNYIEW-UHFFFAOYSA-N
XLogP4.64
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 18761939
[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl] acetate
CID 71413141
5-[2-hydroxy-3-[4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]oxypropoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 13302213
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
6-chloro-5,7-dimethyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 71739541
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one
CID 82046628
3-(2,6-dichlorophenyl)benzo[f]chromen-1-one
CID 56833936
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one?
The IUPAC name of 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one (CID 5073343) is 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one.
What is the SMILES notation for 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one?
The canonical SMILES for 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one is COc1cc(-c2cc(=O)c3c(ccc4ccccc43)o2)cc(OC)c1OC.
What is the InChIKey of 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one?
The InChIKey is HXRGYQMZSNYIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-24-19-10-14(11-20(25-2)22(19)26-3)18-12-16(23)21-15-7-5-4-6-13(15)8-9-17(21)27-18/h4-12H,1-3H3.
What are the key properties of 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one?
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one has a molecular weight of 362.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one is sourced from PubChem (CID 5073343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).