2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol

C32H50O2 — CID 18781595

IUPAC2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol
SMILESCCCCc1cc(C(C)(C)CC)cc(C(C)c2cc(C(C)(C)CC)cc(CCCC)c2O)c1O
InChIInChI=1S/C32H50O2/c1-10-14-16-23-18-25(31(6,7)12-3)20-27(29(23)33)22(5)28-21-26(32(8,9)13-4)19-24(30(28)34)17-15-11-2/h18-22,33-34H,10-17H2,1-9H3
InChIKeyWRQRNXLPPZIIEA-UHFFFAOYSA-N
MW466.75 g/mol
LogP9.31
Rot. Bonds12

About 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol

2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol (PubChem CID 18781595) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol
PubChem CID18781595
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol
SMILESCCCCc1cc(C(C)(C)CC)cc(C(C)c2cc(C(C)(C)CC)cc(CCCC)c2O)c1O
InChIInChI=1S/C32H50O2/c1-10-14-16-23-18-25(31(6,7)12-3)20-27(29(23)33)22(5)28-21-26(32(8,9)13-4)19-24(30(28)34)17-15-11-2/h18-22,33-34H,10-17H2,1-9H3
InChIKeyWRQRNXLPPZIIEA-UHFFFAOYSA-N
XLogP9.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-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-butyl-5-(2-methylbutan-2-yl)phenol
CID 150152087
2-[1-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]pentyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 21199802
2,2-bis(3,5-dibutyl-4-hydroxyphenyl)propanoic acid
CID 69306762
2,6-diethyl-4-(2-methylheptan-2-yl)phenol
CID 91497422
2-butyl-4-(2-phenylpropan-2-yl)-6-propylphenol
CID 66879504
2-butyl-4-ethyl-6-propylphenol
CID 66988794
2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol
CID 101311656
[2-[1-[2-hydroxy-3-methyl-5-(2-methylheptan-2-yl)phenyl]ethyl]-6-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)phenyl] prop-2-enoate
CID 90349212
2-butyl-4-(2-ethoxyethyl)-6-propan-2-ylphenol
CID 139823212
4-(2-methylbutan-2-yl)-2-pentan-2-ylphenol
CID 67779766
2-(3-aminopropyl)-4-(2-methylbutan-2-yl)phenol
CID 117316992
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol (CID 18781595) is 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol is CCCCc1cc(C(C)(C)CC)cc(C(C)c2cc(C(C)(C)CC)cc(CCCC)c2O)c1O.
What is the InChIKey of 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol?
The InChIKey is WRQRNXLPPZIIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-10-14-16-23-18-25(31(6,7)12-3)20-27(29(23)33)22(5)28-21-26(32(8,9)13-4)19-24(30(28)34)17-15-11-2/h18-22,33-34H,10-17H2,1-9H3.
What are the key properties of 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol?
2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol has a molecular weight of 466.75 g/mol, XLogP of 9.31, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[1-[3-butyl-2-hydroxy-5-(2-methylbutan-2-yl)phenyl]ethyl]-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 18781595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).