4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol

C30H44O2 — CID 154629594

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCCCCCCCCCC2)cc(C)c1O
InChIInChI=1S/C30H44O2/c1-22-18-26(19-23(2)28(22)31)30(27-20-24(3)29(32)25(4)21-27)16-14-12-10-8-6-5-7-9-11-13-15-17-30/h18-21,31-32H,5-17H2,1-4H3
InChIKeyKYLPRGSZVXZPES-UHFFFAOYSA-N
MW436.68 g/mol
LogP8.70
Rot. Bonds2

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol (PubChem CID 154629594) has the molecular formula C30H44O2 and a molecular weight of 436.68 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
PubChem CID154629594
Molecular FormulaC30H44O2
Molecular Weight436.68 g/mol
Exact Mass436.33
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol
SMILESCc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCCCCCCCCCC2)cc(C)c1O
InChIInChI=1S/C30H44O2/c1-22-18-26(19-23(2)28(22)31)30(27-20-24(3)29(32)25(4)21-27)16-14-12-10-8-6-5-7-9-11-13-15-17-30/h18-21,31-32H,5-17H2,1-4H3
InChIKeyKYLPRGSZVXZPES-UHFFFAOYSA-N
XLogP8.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(3-diazonio-4-hydroxy-5-methylphenyl)cyclohexyl]-2-hydroxy-3-methylbenzenediazonium
CID 71358313
1,2,3-trimethyl-5-[1-(3,4,5-trimethylphenyl)cyclohexyl]benzene
CID 21045052
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol;4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 159439965
4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline
CID 1392676
2-iodo-6-methyl-4-[1,4,4-tris(4-hydroxy-3,5-diiodophenyl)cyclohexyl]phenol
CID 142305595
4-[4-[[4,4-bis(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]methyl]-1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol
CID 139895212
4-[1-(4-hydroxy-3,5-dimethylphenyl)-4-propan-2-ylcyclohexyl]-2,6-dimethylphenol
CID 22601829
4-[1-(3,5-dimethylphenyl)cyclohexyl]-2,6-bis(hydroxymethyl)phenol
CID 170054066
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
4-[1-(4-amino-3-methylphenyl)cyclododecyl]-2-methylphenol
CID 144931286
4-[1-(4-hydroxy-3,5-dimethylphenyl)-3-(2-methylbutan-2-yl)cyclohexyl]-2,6-dimethylphenol
CID 23188641
2,6-dimethyl-4-[1,4,4-tris(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]phenol;4-[2-[4-hydroxy-3-[[2-hydroxy-5-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-3-methylphenyl]methyl]-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
CID 91361642

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol (CID 154629594) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol is Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCCCCCCCCCC2)cc(C)c1O.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol?
The InChIKey is KYLPRGSZVXZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O2/c1-22-18-26(19-23(2)28(22)31)30(27-20-24(3)29(32)25(4)21-27)16-14-12-10-8-6-5-7-9-11-13-15-17-30/h18-21,31-32H,5-17H2,1-4H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol has a molecular weight of 436.68 g/mol, XLogP of 8.70, 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-3,5-dimethylphenyl)cyclotetradecyl]-2,6-dimethylphenol is sourced from PubChem (CID 154629594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).