2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol

C26H38O2 — CID 88550630

IUPAC2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol
SMILESCC1=CC(O)=C(C(C)(C)C)CC1=CCCCc1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C26H38O2/c1-17-13-23(27)21(25(3,4)5)15-19(17)11-9-10-12-20-16-22(26(6,7)8)24(28)14-18(20)2/h11,13-14,16,27-28H,9-10,12,15H2,1-8H3
InChIKeyPRQKHXCYJXPNOM-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.46
Rot. Bonds4

About 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol

2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol (PubChem CID 88550630) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol
PubChem CID88550630
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol
SMILESCC1=CC(O)=C(C(C)(C)C)CC1=CCCCc1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C26H38O2/c1-17-13-23(27)21(25(3,4)5)15-19(17)11-9-10-12-20-16-22(26(6,7)8)24(28)14-18(20)2/h11,13-14,16,27-28H,9-10,12,15H2,1-8H3
InChIKeyPRQKHXCYJXPNOM-UHFFFAOYSA-N
XLogP7.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
4-(4-tert-butyl-5-hydroxy-2-methylphenyl)butanoic acid
CID 117379432
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
dodecyl 3-(5-tert-butyl-4-hydroxy-2-methylphenyl)propanoate
CID 21446624
2-tert-butyl-5-methyl-4-(9-sulfanyldodecyl)phenol
CID 139881073
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695
2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol
CID 139762092
2,4-ditert-butyl-5-methylphenol
CID 10346
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
bis[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate;4-butyl-2-tert-butyl-5-methylphenol
CID 175213832
2-tert-butyl-4-[2-hydroxy-5-(4-hydroxybutylamino)pentyl]-5-methylphenol
CID 139768826

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol?
The IUPAC name of 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol (CID 88550630) is 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol.
What is the SMILES notation for 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol?
The canonical SMILES for 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol is CC1=CC(O)=C(C(C)(C)C)CC1=CCCCc1cc(C(C)(C)C)c(O)cc1C.
What is the InChIKey of 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol?
The InChIKey is PRQKHXCYJXPNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-17-13-23(27)21(25(3,4)5)15-19(17)11-9-10-12-20-16-22(26(6,7)8)24(28)14-18(20)2/h11,13-14,16,27-28H,9-10,12,15H2,1-8H3.
What are the key properties of 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol?
2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol has a molecular weight of 382.59 g/mol, XLogP of 7.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[4-(5-tert-butyl-4-hydroxy-2-methylcyclohexa-2,4-dien-1-ylidene)butyl]-5-methylphenol is sourced from PubChem (CID 88550630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).