4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one

C26H28O3 — CID 54681451

IUPAC4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one
SMILESCCC(Cc1ccccc1)c1cc(O)c(-c2c(C)ccc3c2CCCC3)c(=O)o1
InChIInChI=1S/C26H28O3/c1-3-19(15-18-9-5-4-6-10-18)23-16-22(27)25(26(28)29-23)24-17(2)13-14-20-11-7-8-12-21(20)24/h4-6,9-10,13-14,16,19,27H,3,7-8,11-12,15H2,1-2H3
InChIKeyYUACOEVLSCBKGJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.94
Rot. Bonds5

About 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one

4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one (PubChem CID 54681451) has the molecular formula C26H28O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one
PubChem CID54681451
Molecular FormulaC26H28O3
Molecular Weight388.51 g/mol
Exact Mass388.20
IUPAC Name4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one
SMILESCCC(Cc1ccccc1)c1cc(O)c(-c2c(C)ccc3c2CCCC3)c(=O)o1
InChIInChI=1S/C26H28O3/c1-3-19(15-18-9-5-4-6-10-18)23-16-22(27)25(26(28)29-23)24-17(2)13-14-20-11-7-8-12-21(20)24/h4-6,9-10,13-14,16,19,27H,3,7-8,11-12,15H2,1-2H3
InChIKeyYUACOEVLSCBKGJ-UHFFFAOYSA-N
XLogP5.94
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one?
The IUPAC name of 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one (CID 54681451) is 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one is CCC(Cc1ccccc1)c1cc(O)c(-c2c(C)ccc3c2CCCC3)c(=O)o1.
What is the InChIKey of 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one?
The InChIKey is YUACOEVLSCBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O3/c1-3-19(15-18-9-5-4-6-10-18)23-16-22(27)25(26(28)29-23)24-17(2)13-14-20-11-7-8-12-21(20)24/h4-6,9-10,13-14,16,19,27H,3,7-8,11-12,15H2,1-2H3.
What are the key properties of 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one?
4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one has a molecular weight of 388.51 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-6-(1-phenylbutan-2-yl)pyran-2-one is sourced from PubChem (CID 54681451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).