3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one

C22H18O5 — CID 73346146

IUPAC3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
SMILESCOc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2OC)cc1OC
InChIInChI=1S/C22H18O5/c1-24-16-10-9-14(12-18(16)25-2)21-22(26-3)20(23)19-15-7-5-4-6-13(15)8-11-17(19)27-21/h4-12H,1-3H3
InChIKeyKVQSMEDXRLSCNZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.64
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one

3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one (PubChem CID 73346146) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
PubChem CID73346146
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
SMILESCOc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2OC)cc1OC
InChIInChI=1S/C22H18O5/c1-24-16-10-9-14(12-18(16)25-2)21-22(26-3)20(23)19-15-7-5-4-6-13(15)8-11-17(19)27-21/h4-12H,1-3H3
InChIKeyKVQSMEDXRLSCNZ-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

2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
2-(3,4-dimethoxyphenyl)-6-(hydroxymethyl)-3-methoxychromen-4-one
CID 58427526
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
2-(4-fluoro-3-methoxyphenyl)-3-methoxybenzo[h]chromen-4-one
CID 73349189
3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
CID 146500533
8-methoxybenzo[a]xanthen-12-one
CID 135193701
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-(2-phenylethoxy)chromen-4-one
CID 59838501

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one (CID 73346146) is 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one is COc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2OC)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one?
The InChIKey is KVQSMEDXRLSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-24-16-10-9-14(12-18(16)25-2)21-22(26-3)20(23)19-15-7-5-4-6-13(15)8-11-17(19)27-21/h4-12H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one?
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[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-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one is sourced from PubChem (CID 73346146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).