5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol

C29H32O4 — CID 641711

IUPAC5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc3c(c2o1)C=CC(C)(C)O3
InChIInChI=1S/C29H32O4/c1-17(2)7-10-20-23(30)16-24(31)21(11-8-18(3)4)27(20)26-15-19-9-12-25-22(28(19)32-26)13-14-29(5,6)33-25/h7-9,12-16,30-31H,10-11H2,1-6H3
InChIKeyLNBFFYUGHCUNLA-UHFFFAOYSA-N
MW444.57 g/mol
LogP7.71
Rot. Bonds5

About 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol

5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol (PubChem CID 641711) has the molecular formula C29H32O4 and a molecular weight of 444.57 g/mol. Its IUPAC name is 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
PubChem CID641711
Molecular FormulaC29H32O4
Molecular Weight444.57 g/mol
Exact Mass444.23
IUPAC Name5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
SMILESCC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc3c(c2o1)C=CC(C)(C)O3
InChIInChI=1S/C29H32O4/c1-17(2)7-10-20-23(30)16-24(31)21(11-8-18(3)4)27(20)26-15-19-9-12-25-22(28(19)32-26)13-14-29(5,6)33-25/h7-9,12-16,30-31H,10-11H2,1-6H3
InChIKeyLNBFFYUGHCUNLA-UHFFFAOYSA-N
XLogP7.71
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 57.71
H-Bond Donors ≤ 52
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-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol?
The IUPAC name of 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol (CID 641711) is 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol.
What is the SMILES notation for 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol?
The canonical SMILES for 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol is CC(C)=CCc1c(O)cc(O)c(CC=C(C)C)c1-c1cc2ccc3c(c2o1)C=CC(C)(C)O3.
What is the InChIKey of 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol?
The InChIKey is LNBFFYUGHCUNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O4/c1-17(2)7-10-20-23(30)16-24(31)21(11-8-18(3)4)27(20)26-15-19-9-12-25-22(28(19)32-26)13-14-29(5,6)33-25/h7-9,12-16,30-31H,10-11H2,1-6H3.
What are the key properties of 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol?
5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol has a molecular weight of 444.57 g/mol, XLogP of 7.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-dimethylfuro[2,3-f]chromen-2-yl)-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol is sourced from PubChem (CID 641711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).