7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one

C24H32O4 — CID 73241696

IUPAC7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one
SMILESCC1CCC2(C)C(C)C(O)CCC2C1(C)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C24H32O4/c1-15-11-12-23(3)16(2)19(25)8-9-21(23)24(15,4)14-27-18-7-5-17-6-10-22(26)28-20(17)13-18/h5-7,10,13,15-16,19,21,25H,8-9,11-12,14H2,1-4H3
InChIKeyVZHMLYJMPGDZPE-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.02
Rot. Bonds3

About 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one

7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one (PubChem CID 73241696) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one
PubChem CID73241696
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one
SMILESCC1CCC2(C)C(C)C(O)CCC2C1(C)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C24H32O4/c1-15-11-12-23(3)16(2)19(25)8-9-21(23)24(15,4)14-27-18-7-5-17-6-10-22(26)28-20(17)13-18/h5-7,10,13,15-16,19,21,25H,8-9,11-12,14H2,1-4H3
InChIKeyVZHMLYJMPGDZPE-UHFFFAOYSA-N
XLogP5.02
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one?
The IUPAC name of 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one (CID 73241696) is 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one is CC1CCC2(C)C(C)C(O)CCC2C1(C)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one?
The InChIKey is VZHMLYJMPGDZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O4/c1-15-11-12-23(3)16(2)19(25)8-9-21(23)24(15,4)14-27-18-7-5-17-6-10-22(26)28-20(17)13-18/h5-7,10,13,15-16,19,21,25H,8-9,11-12,14H2,1-4H3.
What are the key properties of 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one?
7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one has a molecular weight of 384.52 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl)methoxy]chromen-2-one is sourced from PubChem (CID 73241696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).