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

C25H34O2 — CID 10618930

IUPAC6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
InChIKeyWREHREIPYKSRLY-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.24
Rot. Bonds6

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

6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol (PubChem CID 10618930) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol.

Molecular Properties

Compound Name6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol
PubChem CID10618930
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
InChIInChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3
InChIKeyWREHREIPYKSRLY-UHFFFAOYSA-N
XLogP7.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydrocannabinol
CID 16078
Tocopherols
CID 14986
(+)-gamma-Tocopherol
CID 92729
Cannabinol
CID 2543
(+-)-Cannabichromene
CID 30219
Nabilone
CID 5284592
Delta-8-Tetrahydrocannabinol
CID 638026
Glabridin
CID 124052
Dexanabinol
CID 107778
Tetrahydrocannabivarin
CID 93147
Gamma-Tocotrienol
CID 5282349
Beta-Tocopherol
CID 6857447

Frequently Asked Questions

What is the IUPAC name of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
The IUPAC name of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol (CID 10618930) is 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol.
What is the SMILES notation for 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
The canonical SMILES for 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol is CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2.
What is the InChIKey of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
The InChIKey is WREHREIPYKSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-7-8-9-10-13-24(3,4)18-15-21(26)23-19-14-17(2)11-12-20(19)25(5,6)27-22(23)16-18/h11-12,14-16,26H,7-10,13H2,1-6H3.
What are the key properties of 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol?
6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol has a molecular weight of 366.55 g/mol, XLogP of 7.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,9-trimethyl-3-(2-methyloctan-2-yl)benzo[c]chromen-1-ol is sourced from PubChem (CID 10618930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).