4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol

C20H28O2 — CID 142727000

IUPAC4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(C2(C3=CCC(C)(O)C=C3)CCCCC2)=CC1
InChIInChI=1S/C20H28O2/c1-18(21)12-6-16(7-13-18)20(10-4-3-5-11-20)17-8-14-19(2,22)15-9-17/h6-9,12,14,21-22H,3-5,10-11,13,15H2,1-2H3
InChIKeySJAHZSKLRUZJJW-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.21
Rot. Bonds2

About 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol

4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 142727000) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID142727000
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(C2(C3=CCC(C)(O)C=C3)CCCCC2)=CC1
InChIInChI=1S/C20H28O2/c1-18(21)12-6-16(7-13-18)20(10-4-3-5-11-20)17-8-14-19(2,22)15-9-17/h6-9,12,14,21-22H,3-5,10-11,13,15H2,1-2H3
InChIKeySJAHZSKLRUZJJW-UHFFFAOYSA-N
XLogP4.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 150464617
5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
CID 141409327
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
4-[2,7-dibromo-9-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)fluoren-9-yl]phenol
CID 147865744
1,5-dimethylcyclohepta-2,5-dien-1-ol
CID 143034749
4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)ethyl]phenol
CID 152613688
1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)pentan-2-one
CID 150131226
3-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohex-3-ene-1-carbaldehyde
CID 141150590
1,4-dimethylcyclohexa-2,4-dien-1-ol;2,5-dimethylphenol
CID 158515643
3-hydroxy-3-methylcycloheptene-1-carbonitrile
CID 16742485
cerium;1-methylcyclohexan-1-ol
CID 146687678
N-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-2-[1-[2-[(1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]phenyl]cyclohexyl]aniline
CID 176655062

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol (CID 142727000) is 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol is CC1(O)C=CC(C2(C3=CCC(C)(O)C=C3)CCCCC2)=CC1.
What is the InChIKey of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is SJAHZSKLRUZJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-18(21)12-6-16(7-13-18)20(10-4-3-5-11-20)17-8-14-19(2,22)15-9-17/h6-9,12,14,21-22H,3-5,10-11,13,15H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol?
4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 300.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)cyclohexyl]-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 142727000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).