4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol

C25H36O2 — CID 66891866

IUPAC4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol
SMILESCCC(CC)(c1ccc(O)cc1)c1ccc(CCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C25H36O2/c1-7-25(8-2,20-12-14-22(26)15-13-20)21-11-9-19(18(3)17-21)10-16-23(27)24(4,5)6/h9,11-15,17,23,26-27H,7-8,10,16H2,1-6H3
InChIKeyUTCPTTGFELNJTC-UHFFFAOYSA-N
MW368.56 g/mol
LogP6.15
Rot. Bonds7

About 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol

4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol (PubChem CID 66891866) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol
PubChem CID66891866
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol
SMILESCCC(CC)(c1ccc(O)cc1)c1ccc(CCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C25H36O2/c1-7-25(8-2,20-12-14-22(26)15-13-20)21-11-9-19(18(3)17-21)10-16-23(27)24(4,5)6/h9,11-15,17,23,26-27H,7-8,10,16H2,1-6H3
InChIKeyUTCPTTGFELNJTC-UHFFFAOYSA-N
XLogP6.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol 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

4,4-dimethyl-1-[2-methyl-4-[3-(3-methyl-4-prop-2-enylphenyl)pentan-3-yl]phenyl]pentan-3-ol
CID 58598572
(3R)-4,4-dimethyl-1-[2-methyl-4-[3-(3-methyl-4-propoxyphenyl)pentan-3-yl]phenyl]pentan-3-ol
CID 91383126
4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenol;2-[[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]propane-1,3-diol
CID 159694859
5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentane-1,4-diol
CID 11705766
(4S)-4-hydroxy-5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentanoic acid
CID 56678872
ethane;methyl 2-[4-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate
CID 143366317
3-[3-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]propanal
CID 89188442
sodium [carboxy-[4-[4-[3-[4-[(3S)-3-hydroxy-4,4-dimethylpentyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]methyl]azanide
CID 87255538
1-[3-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]propane-1,2-dione
CID 58183937
4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-5-methyl-1,3-thiazol-2-yl]pentan-3-yl]phenol
CID 178046296
4,4-dimethyl-1-[2-methyl-4-[3-[3-methyl-4-(oxolan-2-ylmethoxy)phenyl]pentan-3-yl]phenyl]pentan-3-ol
CID 69334960
sodium (4R)-4-hydroxy-5-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]pentanoate
CID 58598234

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol?
The IUPAC name of 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol (CID 66891866) is 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol.
What is the SMILES notation for 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol?
The canonical SMILES for 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol is CCC(CC)(c1ccc(O)cc1)c1ccc(CCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol?
The InChIKey is UTCPTTGFELNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-7-25(8-2,20-12-14-22(26)15-13-20)21-11-9-19(18(3)17-21)10-16-23(27)24(4,5)6/h9,11-15,17,23,26-27H,7-8,10,16H2,1-6H3.
What are the key properties of 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol?
4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol has a molecular weight of 368.56 g/mol, XLogP of 6.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]phenol is sourced from PubChem (CID 66891866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).