4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol

C26H32O4 — CID 134154970

IUPAC4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol
SMILESCC(C)=CCc1cc(C2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)C(O)C2
InChIInChI=1S/C26H32O4/c1-15(2)5-6-17-11-20(19-13-24(28)26(3,4)14-21(19)25(17)29)22-10-8-16-7-9-18(27)12-23(16)30-22/h5,7,9,11-12,22,24,27-29H,6,8,10,13-14H2,1-4H3
InChIKeyXDDAFCNRNKKJFR-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.16
Rot. Bonds3

About 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol

4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol (PubChem CID 134154970) has the molecular formula C26H32O4 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol.

Molecular Properties

Compound Name4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol
PubChem CID134154970
Molecular FormulaC26H32O4
Molecular Weight408.54 g/mol
Exact Mass408.23
IUPAC Name4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol
SMILESCC(C)=CCc1cc(C2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)C(O)C2
InChIInChI=1S/C26H32O4/c1-15(2)5-6-17-11-20(19-13-24(28)26(3,4)14-21(19)25(17)29)22-10-8-16-7-9-18(27)12-23(16)30-22/h5,7,9,11-12,22,24,27-29H,6,8,10,13-14H2,1-4H3
InChIKeyXDDAFCNRNKKJFR-UHFFFAOYSA-N
XLogP5.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol?
The IUPAC name of 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol (CID 134154970) is 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol.
What is the SMILES notation for 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol?
The canonical SMILES for 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol is CC(C)=CCc1cc(C2CCc3ccc(O)cc3O2)c2c(c1O)CC(C)(C)C(O)C2.
What is the InChIKey of 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol?
The InChIKey is XDDAFCNRNKKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O4/c1-15(2)5-6-17-11-20(19-13-24(28)26(3,4)14-21(19)25(17)29)22-10-8-16-7-9-18(27)12-23(16)30-22/h5,7,9,11-12,22,24,27-29H,6,8,10,13-14H2,1-4H3.
What are the key properties of 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol?
4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol has a molecular weight of 408.54 g/mol, XLogP of 5.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-hydroxy-3,4-dihydro-2H-chromen-2-yl)-7,7-dimethyl-2-(3-methylbut-2-enyl)-6,8-dihydro-5H-naphthalene-1,6-diol is sourced from PubChem (CID 134154970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).