2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol

C25H34O2 — CID 89220492

IUPAC2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C)cc(C(CCC)c2cc(C)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C25H34O2/c1-9-10-18(20-12-16(4)11-19(15(2)3)23(20)26)21-13-17(5)14-22(24(21)27)25(6,7)8/h11-14,18,26-27H,2,9-10H2,1,3-8H3
InChIKeyVFBRKWNRWGHUJM-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.98
Rot. Bonds5

About 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol

2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol (PubChem CID 89220492) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
PubChem CID89220492
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol
SMILESC=C(C)c1cc(C)cc(C(CCC)c2cc(C)cc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C25H34O2/c1-9-10-18(20-12-16(4)11-19(15(2)3)23(20)26)21-13-17(5)14-22(24(21)27)25(6,7)8/h11-14,18,26-27H,2,9-10H2,1,3-8H3
InChIKeyVFBRKWNRWGHUJM-UHFFFAOYSA-N
XLogP6.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)-cyclohexylmethyl]-4-methyl-6-prop-1-en-2-ylphenol
CID 89141539
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol
CID 139990799
4-benzyl-2-[1-(5-benzyl-3-tert-butyl-2-hydroxyphenyl)butyl]-6-tert-butylphenol
CID 71368019
2-tert-butyl-6-[1-[3-tert-butyl-2-hydroxy-5-(3-hydroxypropyl)phenyl]butyl]-4-(5-hydroxypentyl)phenol
CID 59837202
2-butyl-6-[1-(3-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methylphenol
CID 101311656
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
CID 142998907
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
CID 162123967
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol
CID 58803757
bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl acetate
CID 57220780
3-tert-butyl-2-hydroxy-5-methylbenzoic acid
CID 3736139

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol?
The IUPAC name of 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol (CID 89220492) is 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol.
What is the SMILES notation for 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol?
The canonical SMILES for 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol is C=C(C)c1cc(C)cc(C(CCC)c2cc(C)cc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol?
The InChIKey is VFBRKWNRWGHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-9-10-18(20-12-16(4)11-19(15(2)3)23(20)26)21-13-17(5)14-22(24(21)27)25(6,7)8/h11-14,18,26-27H,2,9-10H2,1,3-8H3.
What are the key properties of 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol?
2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol has a molecular weight of 366.55 g/mol, XLogP of 6.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)butyl]-4-methyl-6-prop-1-en-2-ylphenol is sourced from PubChem (CID 89220492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).