4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one

C20H22O3 — CID 101418237

IUPAC4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3c(C)ccc(C(C)C)c32)cc1
InChIInChI=1S/C20H22O3/c1-12(2)16-10-5-13(3)20-19(16)17(11-18(21)23-20)14-6-8-15(22-4)9-7-14/h5-10,12,17H,11H2,1-4H3
InChIKeyFBQZJCODSCQOGF-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.57
Rot. Bonds3

About 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one

4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one (PubChem CID 101418237) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
PubChem CID101418237
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2CC(=O)Oc3c(C)ccc(C(C)C)c32)cc1
InChIInChI=1S/C20H22O3/c1-12(2)16-10-5-13(3)20-19(16)17(11-18(21)23-20)14-6-8-15(22-4)9-7-14/h5-10,12,17H,11H2,1-4H3
InChIKeyFBQZJCODSCQOGF-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.57
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

7-hydroxy-4-(4-methoxyphenyl)-5-methyl-3,4-dihydrochromen-2-one
CID 102427491
5,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 102288918
(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
4-(4-methoxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71755298
8-ethyl-5,7-dimethoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11638718
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 11460348
3-(3-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one
CID 156772297
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 58383247

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one (CID 101418237) is 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one is COc1ccc(C2CC(=O)Oc3c(C)ccc(C(C)C)c32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
The InChIKey is FBQZJCODSCQOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-12(2)16-10-5-13(3)20-19(16)17(11-18(21)23-20)14-6-8-15(22-4)9-7-14/h5-10,12,17H,11H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one?
4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one has a molecular weight of 310.39 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-methyl-5-propan-2-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 101418237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).