4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol

C25H40O2 — CID 22223390

IUPAC4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCCC(C)(C)C1(C)C=C(CC2=CC(C)(C(C)(C)CC)C(O)C=C2)C=CC1O
InChIInChI=1S/C25H40O2/c1-9-22(3,4)24(7)16-18(11-13-20(24)26)15-19-12-14-21(27)25(8,17-19)23(5,6)10-2/h11-14,16-17,20-21,26-27H,9-10,15H2,1-8H3
InChIKeyOTWBVIMADAVROB-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.98
Rot. Bonds6

About 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol

4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 22223390) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol
PubChem CID22223390
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol
SMILESCCC(C)(C)C1(C)C=C(CC2=CC(C)(C(C)(C)CC)C(O)C=C2)C=CC1O
InChIInChI=1S/C25H40O2/c1-9-22(3,4)24(7)16-18(11-13-20(24)26)15-19-12-14-21(27)25(8,17-19)23(5,6)10-2/h11-14,16-17,20-21,26-27H,9-10,15H2,1-8H3
InChIKeyOTWBVIMADAVROB-UHFFFAOYSA-N
XLogP5.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol (CID 22223390) is 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol is CCC(C)(C)C1(C)C=C(CC2=CC(C)(C(C)(C)CC)C(O)C=C2)C=CC1O.
What is the InChIKey of 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is OTWBVIMADAVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2/c1-9-22(3,4)24(7)16-18(11-13-20(24)26)15-19-12-14-21(27)25(8,17-19)23(5,6)10-2/h11-14,16-17,20-21,26-27H,9-10,15H2,1-8H3.
What are the key properties of 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol?
4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 372.59 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-methyl-3-(2-methylbutan-2-yl)cyclohexa-1,5-dien-1-yl]methyl]-6-methyl-6-(2-methylbutan-2-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 22223390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).