7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one

C19H20O6 — CID 10337543

IUPAC7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc2c(c1)OC(=O)CC2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20O6/c1-21-12-5-6-13-14(10-18(20)25-15(13)9-12)11-7-16(22-2)19(24-4)17(8-11)23-3/h5-9,14H,10H2,1-4H3
InChIKeyPRCIEPQIRAKFCU-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.16
Rot. Bonds5

About 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one

7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 10337543) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID10337543
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc2c(c1)OC(=O)CC2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20O6/c1-21-12-5-6-13-14(10-18(20)25-15(13)9-12)11-7-16(22-2)19(24-4)17(8-11)23-3/h5-9,14H,10H2,1-4H3
InChIKeyPRCIEPQIRAKFCU-UHFFFAOYSA-N
XLogP3.16
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one (CID 10337543) is 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one is COc1ccc2c(c1)OC(=O)CC2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is PRCIEPQIRAKFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-21-12-5-6-13-14(10-18(20)25-15(13)9-12)11-7-16(22-2)19(24-4)17(8-11)23-3/h5-9,14H,10H2,1-4H3.
What are the key properties of 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one?
7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 344.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 10337543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).