1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol

C27H36O2 — CID 158673942

IUPAC1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
SMILESCC.CCCCc1ccc(C(C)C)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H20.C12H10O2.C2H6/c1-4-5-6-12-7-9-13(10-8-12)11(2)3;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h7-11H,4-6H2,1-3H3;1-8,13-14H;1-2H3
InChIKeyIEGYHYVKFAIICV-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.94
Rot. Bonds5

About 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol

1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol (PubChem CID 158673942) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
PubChem CID158673942
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
SMILESCC.CCCCc1ccc(C(C)C)cc1.Oc1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C13H20.C12H10O2.C2H6/c1-4-5-6-12-7-9-13(10-8-12)11(2)3;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h7-11H,4-6H2,1-3H3;1-8,13-14H;1-2H3
InChIKeyIEGYHYVKFAIICV-UHFFFAOYSA-N
XLogP7.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)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

1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-butylphenol;tungsten
CID 174758928
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
lithium;4-butylphenol;hydride
CID 174758234
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
1-[4-(4-pentylphenyl)phenyl]ethanol
CID 14297725
ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
CID 160505976
4-(3,5-dibutylphenyl)phenol
CID 175464122

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol?
The IUPAC name of 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol (CID 158673942) is 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol is CC.CCCCc1ccc(C(C)C)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol?
The InChIKey is IEGYHYVKFAIICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C12H10O2.C2H6/c1-4-5-6-12-7-9-13(10-8-12)11(2)3;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-2/h7-11H,4-6H2,1-3H3;1-8,13-14H;1-2H3.
What are the key properties of 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol?
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol has a molecular weight of 392.58 g/mol, XLogP of 7.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 158673942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).