7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one

C17H16O4 — CID 11781052

IUPAC7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(OC)ccc32)cc1
InChIInChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)15-10-17(18)21-16-9-13(20-2)7-8-14(15)16/h3-9,15H,10H2,1-2H3
InChIKeyDQCRKCYNKDSRQR-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.14
Rot. Bonds3

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

7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 11781052) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID11781052
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3cc(OC)ccc32)cc1
InChIInChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)15-10-17(18)21-16-9-13(20-2)7-8-14(15)16/h3-9,15H,10H2,1-2H3
InChIKeyDQCRKCYNKDSRQR-UHFFFAOYSA-N
XLogP3.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (CID 11781052) is 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3cc(OC)ccc32)cc1.
What is the InChIKey of 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is DQCRKCYNKDSRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)15-10-17(18)21-16-9-13(20-2)7-8-14(15)16/h3-9,15H,10H2,1-2H3.
What are the key properties of 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one has a molecular weight of 284.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 11781052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).