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

C17H16O4 — CID 44601497

IUPAC6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3ccc(OC)cc32)cc1
InChIInChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)14-10-17(18)21-16-8-7-13(20-2)9-15(14)16/h3-9,14H,10H2,1-2H3
InChIKeyIEIOCBISUYXXMN-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.14
Rot. Bonds3

About 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one

6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (PubChem CID 44601497) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
PubChem CID44601497
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3ccc(OC)cc32)cc1
InChIInChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)14-10-17(18)21-16-8-7-13(20-2)9-15(14)16/h3-9,14H,10H2,1-2H3
InChIKeyIEIOCBISUYXXMN-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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Related Compounds

6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
(4S)-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540146
(4S)-5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 71533318
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
2-[[4-(4-methoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]-3-methylbutanoic acid
CID 22688080
7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
(4R)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4R)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-4-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydrochromen-2-one
CID 159529781
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The IUPAC name of 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one (CID 44601497) is 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3ccc(OC)cc32)cc1.
What is the InChIKey of 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
The InChIKey is IEIOCBISUYXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-19-12-5-3-11(4-6-12)14-10-17(18)21-16-8-7-13(20-2)9-15(14)16/h3-9,14H,10H2,1-2H3.
What are the key properties of 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one?
6-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 6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 44601497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).