9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol

C25H34O3 — CID 24748863

IUPAC9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(OC)cc1-2
InChIInChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3
InChIKeyZNHVPFVYQXICIO-UHFFFAOYSA-N
MW382.54 g/mol
LogP6.94
Rot. Bonds7

About 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol

9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol (PubChem CID 24748863) has the molecular formula C25H34O3 and a molecular weight of 382.54 g/mol. Its IUPAC name is 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol.

Molecular Properties

Compound Name9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol
PubChem CID24748863
Molecular FormulaC25H34O3
Molecular Weight382.54 g/mol
Exact Mass382.25
IUPAC Name9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(OC)cc1-2
InChIInChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3
InChIKeyZNHVPFVYQXICIO-UHFFFAOYSA-N
XLogP6.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol 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 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
The IUPAC name of 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol (CID 24748863) is 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol.
What is the SMILES notation for 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
The canonical SMILES for 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol is CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(OC)cc1-2.
What is the InChIKey of 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
The InChIKey is ZNHVPFVYQXICIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O3/c1-7-8-9-10-13-24(2,3)17-14-21(26)23-19-16-18(27-6)11-12-20(19)25(4,5)28-22(23)15-17/h11-12,14-16,26H,7-10,13H2,1-6H3.
What are the key properties of 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol has a molecular weight of 382.54 g/mol, XLogP of 6.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol is sourced from PubChem (CID 24748863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).