4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol

C24H24O3 — CID 16746506

IUPAC4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol
SMILESCOc1ccc(C2CC(O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1
InChIInChI=1S/C24H24O3/c1-16-9-10-17(2)23-22(16)21(18-11-13-20(26-3)14-12-18)15-24(25,27-23)19-7-5-4-6-8-19/h4-14,21,25H,15H2,1-3H3
InChIKeyWYYQQTXSEYRJPH-UHFFFAOYSA-N
MW360.45 g/mol
LogP5.07
Rot. Bonds3

About 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol

4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol (PubChem CID 16746506) has the molecular formula C24H24O3 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol
PubChem CID16746506
Molecular FormulaC24H24O3
Molecular Weight360.45 g/mol
Exact Mass360.17
IUPAC Name4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol
SMILESCOc1ccc(C2CC(O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1
InChIInChI=1S/C24H24O3/c1-16-9-10-17(2)23-22(16)21(18-11-13-20(26-3)14-12-18)15-24(25,27-23)19-7-5-4-6-8-19/h4-14,21,25H,15H2,1-3H3
InChIKeyWYYQQTXSEYRJPH-UHFFFAOYSA-N
XLogP5.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol?
The IUPAC name of 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol (CID 16746506) is 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol?
The canonical SMILES for 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol is COc1ccc(C2CC(O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol?
The InChIKey is WYYQQTXSEYRJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3/c1-16-9-10-17(2)23-22(16)21(18-11-13-20(26-3)14-12-18)15-24(25,27-23)19-7-5-4-6-8-19/h4-14,21,25H,15H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol?
4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol has a molecular weight of 360.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihydrochromen-2-ol is sourced from PubChem (CID 16746506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).