4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol

C25H30O4 — CID 132603682

IUPAC4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol
SMILESCOc1ccc(O)cc1/C=C\c1c2c(cc3c1CCC(C)(C)O3)OC(C)(C)CC2
InChIInChI=1S/C25H30O4/c1-24(2)12-10-19-18(8-6-16-14-17(26)7-9-21(16)27-5)20-11-13-25(3,4)29-23(20)15-22(19)28-24/h6-9,14-15,26H,10-13H2,1-5H3/b8-6-
InChIKeyPVUBSGWVSROXSU-VURMDHGXSA-N
MW394.51 g/mol
LogP5.78
Rot. Bonds3

About 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol

4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol (PubChem CID 132603682) has the molecular formula C25H30O4 and a molecular weight of 394.51 g/mol. Its IUPAC name is 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol
PubChem CID132603682
Molecular FormulaC25H30O4
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol
SMILESCOc1ccc(O)cc1/C=C\c1c2c(cc3c1CCC(C)(C)O3)OC(C)(C)CC2
InChIInChI=1S/C25H30O4/c1-24(2)12-10-19-18(8-6-16-14-17(26)7-9-21(16)27-5)20-11-13-25(3,4)29-23(20)15-22(19)28-24/h6-9,14-15,26H,10-13H2,1-5H3/b8-6-
InChIKeyPVUBSGWVSROXSU-VURMDHGXSA-N
XLogP5.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol?
The IUPAC name of 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol (CID 132603682) is 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol.
What is the SMILES notation for 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol?
The canonical SMILES for 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol is COc1ccc(O)cc1/C=C\c1c2c(cc3c1CCC(C)(C)O3)OC(C)(C)CC2.
What is the InChIKey of 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol?
The InChIKey is PVUBSGWVSROXSU-VURMDHGXSA-N. The full InChI is InChI=1S/C25H30O4/c1-24(2)12-10-19-18(8-6-16-14-17(26)7-9-21(16)27-5)20-11-13-25(3,4)29-23(20)15-22(19)28-24/h6-9,14-15,26H,10-13H2,1-5H3/b8-6-.
What are the key properties of 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol?
4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol has a molecular weight of 394.51 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(Z)-2-(2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-yl)ethenyl]phenol is sourced from PubChem (CID 132603682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).