3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C24H24O5 — CID 11372768

IUPAC3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2c3ccc(O)cc3OCC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H24O5/c1-26-18-8-4-15(5-9-18)24-19-10-7-17(25)13-22(19)29-14-20(24)16-6-11-21(27-2)23(12-16)28-3/h4-13,20,24-25H,14H2,1-3H3
InChIKeySXMHBZFCCRGHQA-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.73
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 11372768) has the molecular formula C24H24O5 and a molecular weight of 392.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID11372768
Molecular FormulaC24H24O5
Molecular Weight392.45 g/mol
Exact Mass392.16
IUPAC Name3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2c3ccc(O)cc3OCC2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H24O5/c1-26-18-8-4-15(5-9-18)24-19-10-7-17(25)13-22(19)29-14-20(24)16-6-11-21(27-2)23(12-16)28-3/h4-13,20,24-25H,14H2,1-3H3
InChIKeySXMHBZFCCRGHQA-UHFFFAOYSA-N
XLogP4.73
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 11372768) is 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc(C2c3ccc(O)cc3OCC2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is SXMHBZFCCRGHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5/c1-26-18-8-4-15(5-9-18)24-19-10-7-17(25)13-22(19)29-14-20(24)16-6-11-21(27-2)23(12-16)28-3/h4-13,20,24-25H,14H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 392.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 11372768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).