6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one

C29H32O3 — CID 150123426

IUPAC6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one
SMILESCC(CC1CC1C1CC1)c1cc(O)c(C(Cc2ccccc2)Cc2ccccc2)c(=O)o1
InChIInChI=1S/C29H32O3/c1-19(14-23-17-25(23)22-12-13-22)27-18-26(30)28(29(31)32-27)24(15-20-8-4-2-5-9-20)16-21-10-6-3-7-11-21/h2-11,18-19,22-25,30H,12-17H2,1H3
InChIKeyDZSJUOHHDBIDDH-UHFFFAOYSA-N
MW428.57 g/mol
LogP6.45
Rot. Bonds9

About 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one

6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one (PubChem CID 150123426) has the molecular formula C29H32O3 and a molecular weight of 428.57 g/mol. Its IUPAC name is 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one
PubChem CID150123426
Molecular FormulaC29H32O3
Molecular Weight428.57 g/mol
Exact Mass428.24
IUPAC Name6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one
SMILESCC(CC1CC1C1CC1)c1cc(O)c(C(Cc2ccccc2)Cc2ccccc2)c(=O)o1
InChIInChI=1S/C29H32O3/c1-19(14-23-17-25(23)22-12-13-22)27-18-26(30)28(29(31)32-27)24(15-20-8-4-2-5-9-20)16-21-10-6-3-7-11-21/h2-11,18-19,22-25,30H,12-17H2,1H3
InChIKeyDZSJUOHHDBIDDH-UHFFFAOYSA-N
XLogP6.45
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.57
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one?
The IUPAC name of 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one (CID 150123426) is 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one?
The canonical SMILES for 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one is CC(CC1CC1C1CC1)c1cc(O)c(C(Cc2ccccc2)Cc2ccccc2)c(=O)o1.
What is the InChIKey of 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one?
The InChIKey is DZSJUOHHDBIDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O3/c1-19(14-23-17-25(23)22-12-13-22)27-18-26(30)28(29(31)32-27)24(15-20-8-4-2-5-9-20)16-21-10-6-3-7-11-21/h2-11,18-19,22-25,30H,12-17H2,1H3.
What are the key properties of 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one?
6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one has a molecular weight of 428.57 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one is sourced from PubChem (CID 150123426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).