1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one

C24H28O4 — CID 118199588

IUPAC1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
SMILESCCC(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(C)c(OC)c1
InChIInChI=1S/C24H28O4/c1-7-17(16-9-8-15(2)21(14-16)26-5)22(25)19-10-11-20-18(23(19)27-6)12-13-24(3,4)28-20/h8-14,17H,7H2,1-6H3
InChIKeyHRVZFRBMTGOPMJ-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.57
Rot. Bonds6

About 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one

1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one (PubChem CID 118199588) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
PubChem CID118199588
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one
SMILESCCC(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(C)c(OC)c1
InChIInChI=1S/C24H28O4/c1-7-17(16-9-8-15(2)21(14-16)26-5)22(25)19-10-11-20-18(23(19)27-6)12-13-24(3,4)28-20/h8-14,17H,7H2,1-6H3
InChIKeyHRVZFRBMTGOPMJ-UHFFFAOYSA-N
XLogP5.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one?
The IUPAC name of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one (CID 118199588) is 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one?
The canonical SMILES for 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one is CCC(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one?
The InChIKey is HRVZFRBMTGOPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-7-17(16-9-8-15(2)21(14-16)26-5)22(25)19-10-11-20-18(23(19)27-6)12-13-24(3,4)28-20/h8-14,17H,7H2,1-6H3.
What are the key properties of 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one?
1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one has a molecular weight of 380.48 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,2-dimethylchromen-6-yl)-2-(3-methoxy-4-methylphenyl)butan-1-one is sourced from PubChem (CID 118199588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).