2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol

C23H32O2 — CID 19940313

IUPAC2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(CC2=CC(=C)C(O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1O
InChIInChI=1S/C23H32O2/c1-14-9-16(12-18(20(14)24)22(3,4)5)11-17-10-15(2)21(25)19(13-17)23(6,7)8/h9-10,12-13,20-21,24-25H,1-2,11H2,3-8H3
InChIKeyGAOJBNRIDKOOEH-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.04
Rot. Bonds2

About 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol

2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol (PubChem CID 19940313) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol
PubChem CID19940313
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol
SMILESC=C1C=C(CC2=CC(=C)C(O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1O
InChIInChI=1S/C23H32O2/c1-14-9-16(12-18(20(14)24)22(3,4)5)11-17-10-15(2)21(25)19(13-17)23(6,7)8/h9-10,12-13,20-21,24-25H,1-2,11H2,3-8H3
InChIKeyGAOJBNRIDKOOEH-UHFFFAOYSA-N
XLogP5.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-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 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol (CID 19940313) is 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol is C=C1C=C(CC2=CC(=C)C(O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1O.
What is the InChIKey of 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol?
The InChIKey is GAOJBNRIDKOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-14-9-16(12-18(20(14)24)22(3,4)5)11-17-10-15(2)21(25)19(13-17)23(6,7)8/h9-10,12-13,20-21,24-25H,1-2,11H2,3-8H3.
What are the key properties of 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol?
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol has a molecular weight of 340.51 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-3-methylidenecyclohexa-1,5-dien-1-yl)methyl]-6-methylidenecyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 19940313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).