4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol

C23H32O2 — CID 58983865

IUPAC4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C23H32O2/c1-21(2,3)15-22(4,5)19-14-17(10-13-20(19)25)23(6,7)16-8-11-18(24)12-9-16/h8-14,24-25H,15H2,1-7H3
InChIKeyKDVAGDXMLCCAOR-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.14
Rot. Bonds4

About 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol

4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 58983865) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID58983865
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O
InChIInChI=1S/C23H32O2/c1-21(2,3)15-22(4,5)19-14-17(10-13-20(19)25)23(6,7)16-8-11-18(24)12-9-16/h8-14,24-25H,15H2,1-7H3
InChIKeyKDVAGDXMLCCAOR-UHFFFAOYSA-N
XLogP6.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-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

2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 6455739
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 130296994
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-methylphenol
CID 14389009
2-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]disulfanyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159638292
3,5-ditert-butylphenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70461852
4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 161085826
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
2-(2-methylheptan-2-yl)-4-(2-phenylpropan-2-yl)phenol
CID 54404925
benzene-1,3,5-triol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 159326359
4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
CID 126486218

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol (CID 58983865) is 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(C(C)(C)c2ccc(O)cc2)ccc1O.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is KDVAGDXMLCCAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-21(2,3)15-22(4,5)19-14-17(10-13-20(19)25)23(6,7)16-8-11-18(24)12-9-16/h8-14,24-25H,15H2,1-7H3.
What are the key properties of 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol?
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 340.51 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 58983865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).