(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one

C17H16O3 — CID 101014337

IUPAC(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc([C@H]2CC(=O)Oc3cc(C)ccc32)cc1
InChIInChI=1S/C17H16O3/c1-11-3-8-14-15(10-17(18)20-16(14)9-11)12-4-6-13(19-2)7-5-12/h3-9,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyBGVFESCLHSUXBJ-OAHLLOKOSA-N
MW268.31 g/mol
LogP3.44
Rot. Bonds2

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

(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one (PubChem CID 101014337) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
PubChem CID101014337
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc([C@H]2CC(=O)Oc3cc(C)ccc32)cc1
InChIInChI=1S/C17H16O3/c1-11-3-8-14-15(10-17(18)20-16(14)9-11)12-4-6-13(19-2)7-5-12/h3-9,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyBGVFESCLHSUXBJ-OAHLLOKOSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
2-[[4-(4-methoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]-3-methylbutanoic acid
CID 22688080
(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
7-methyl-4-(7-methyl-2-oxo-3,4-dihydrochromen-4-yl)-3,4-dihydrochromen-2-one
CID 122394788
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
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
(4R)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 158798146
7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one
CID 78101646
(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
6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one (CID 101014337) is (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one is COc1ccc([C@H]2CC(=O)Oc3cc(C)ccc32)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
The InChIKey is BGVFESCLHSUXBJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16O3/c1-11-3-8-14-15(10-17(18)20-16(14)9-11)12-4-6-13(19-2)7-5-12/h3-9,15H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one has a molecular weight of 268.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 101014337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).