3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol

C24H32O3 — CID 162904380

IUPAC3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC(=CCOc1ccc2c(c1)OCC=C2)CCC1=C(C)CCC(O)C1(C)C
InChIInChI=1S/C24H32O3/c1-17(7-11-21-18(2)8-12-23(25)24(21,3)4)13-15-26-20-10-9-19-6-5-14-27-22(19)16-20/h5-6,9-10,13,16,23,25H,7-8,11-12,14-15H2,1-4H3
InChIKeyYZRYPZNIUFMRAE-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.69
Rot. Bonds6

About 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol

3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol (PubChem CID 162904380) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol
PubChem CID162904380
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol
SMILESCC(=CCOc1ccc2c(c1)OCC=C2)CCC1=C(C)CCC(O)C1(C)C
InChIInChI=1S/C24H32O3/c1-17(7-11-21-18(2)8-12-23(25)24(21,3)4)13-15-26-20-10-9-19-6-5-14-27-22(19)16-20/h5-6,9-10,13,16,23,25H,7-8,11-12,14-15H2,1-4H3
InChIKeyYZRYPZNIUFMRAE-UHFFFAOYSA-N
XLogP5.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The IUPAC name of 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol (CID 162904380) is 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol is CC(=CCOc1ccc2c(c1)OCC=C2)CCC1=C(C)CCC(O)C1(C)C.
What is the InChIKey of 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
The InChIKey is YZRYPZNIUFMRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O3/c1-17(7-11-21-18(2)8-12-23(25)24(21,3)4)13-15-26-20-10-9-19-6-5-14-27-22(19)16-20/h5-6,9-10,13,16,23,25H,7-8,11-12,14-15H2,1-4H3.
What are the key properties of 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol?
3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol has a molecular weight of 368.52 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2H-chromen-7-yloxy)-3-methylpent-3-enyl]-2,2,4-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 162904380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).