5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one

C26H30O4 — CID 102431468

IUPAC5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C26H30O4/c1-15(2)18-11-10-16(3)12-19(18)24-22(29-4)14-23-25(26(24)28)20(27)13-21(30-23)17-8-6-5-7-9-17/h5-9,12,14-15,18-19,21,28H,10-11,13H2,1-4H3/t18-,19+,21?/m1/s1
InChIKeyFSLNGPMZDQWHEZ-QSJYAPKHSA-N
MW406.52 g/mol
LogP6.20
Rot. Bonds4

About 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one

5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 102431468) has the molecular formula C26H30O4 and a molecular weight of 406.52 g/mol. Its IUPAC name is 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID102431468
Molecular FormulaC26H30O4
Molecular Weight406.52 g/mol
Exact Mass406.21
IUPAC Name5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C26H30O4/c1-15(2)18-11-10-16(3)12-19(18)24-22(29-4)14-23-25(26(24)28)20(27)13-21(30-23)17-8-6-5-7-9-17/h5-9,12,14-15,18-19,21,28H,10-11,13H2,1-4H3/t18-,19+,21?/m1/s1
InChIKeyFSLNGPMZDQWHEZ-QSJYAPKHSA-N
XLogP6.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one (CID 102431468) is 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one is COc1cc2c(c(O)c1[C@H]1C=C(C)CC[C@@H]1C(C)C)C(=O)CC(c1ccccc1)O2.
What is the InChIKey of 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is FSLNGPMZDQWHEZ-QSJYAPKHSA-N. The full InChI is InChI=1S/C26H30O4/c1-15(2)18-11-10-16(3)12-19(18)24-22(29-4)14-23-25(26(24)28)20(27)13-21(30-23)17-8-6-5-7-9-17/h5-9,12,14-15,18-19,21,28H,10-11,13H2,1-4H3/t18-,19+,21?/m1/s1.
What are the key properties of 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one?
5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 406.52 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-methoxy-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 102431468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).