1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one

C20H24O4 — CID 56776297

IUPAC1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one
SMILESCOC(CCc1ccc(O)cc1)CC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,8-11,20-22H,6-7,12-14H2,1H3
InChIKeyPASZRDILCDRSOZ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.64
Rot. Bonds9

About 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one

1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one (PubChem CID 56776297) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one.

Molecular Properties

Compound Name1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one
PubChem CID56776297
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one
SMILESCOC(CCc1ccc(O)cc1)CC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,8-11,20-22H,6-7,12-14H2,1H3
InChIKeyPASZRDILCDRSOZ-UHFFFAOYSA-N
XLogP3.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one?
The IUPAC name of 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one (CID 56776297) is 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one.
What is the SMILES notation for 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one?
The canonical SMILES for 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one is COC(CCc1ccc(O)cc1)CC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one?
The InChIKey is PASZRDILCDRSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-24-20(13-7-16-4-10-18(22)11-5-16)14-19(23)12-6-15-2-8-17(21)9-3-15/h2-5,8-11,20-22H,6-7,12-14H2,1H3.
What are the key properties of 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one?
1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one has a molecular weight of 328.41 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis(4-hydroxyphenyl)-5-methoxyheptan-3-one is sourced from PubChem (CID 56776297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).