3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol

C22H28O4 — CID 170365368

IUPAC3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol
SMILESCCOCCCCOc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C22H28O4/c1-5-24-10-6-7-11-25-16-13-19(23)21-17-12-15(2)8-9-18(17)22(3,4)26-20(21)14-16/h8-9,12-14,23H,5-7,10-11H2,1-4H3
InChIKeyYLDAPBPITNAYFI-UHFFFAOYSA-N
MW356.46 g/mol
LogP5.19
Rot. Bonds7

About 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol

3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol (PubChem CID 170365368) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol.

Molecular Properties

Compound Name3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol
PubChem CID170365368
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol
SMILESCCOCCCCOc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C22H28O4/c1-5-24-10-6-7-11-25-16-13-19(23)21-17-12-15(2)8-9-18(17)22(3,4)26-20(21)14-16/h8-9,12-14,23H,5-7,10-11H2,1-4H3
InChIKeyYLDAPBPITNAYFI-UHFFFAOYSA-N
XLogP5.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol?
The IUPAC name of 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol (CID 170365368) is 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol.
What is the SMILES notation for 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol?
The canonical SMILES for 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol is CCOCCCCOc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.
What is the InChIKey of 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol?
The InChIKey is YLDAPBPITNAYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O4/c1-5-24-10-6-7-11-25-16-13-19(23)21-17-12-15(2)8-9-18(17)22(3,4)26-20(21)14-16/h8-9,12-14,23H,5-7,10-11H2,1-4H3.
What are the key properties of 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol?
3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol has a molecular weight of 356.46 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybutoxy)-6,6,9-trimethylbenzo[c]chromen-1-ol is sourced from PubChem (CID 170365368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).