4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol

C20H26O — CID 150437166

IUPAC4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
SMILESCCCCc1c(C)cc(O)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C20H26O/c1-5-6-12-17-15(4)13-18(21)20(19(17)14(2)3)16-10-8-7-9-11-16/h7-11,13-14,21H,5-6,12H2,1-4H3
InChIKeyHKZYPIDDJGYJBW-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.83
Rot. Bonds5

About 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol

4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol (PubChem CID 150437166) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol.

Molecular Properties

Compound Name4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
PubChem CID150437166
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
SMILESCCCCc1c(C)cc(O)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C20H26O/c1-5-6-12-17-15(4)13-18(21)20(19(17)14(2)3)16-10-8-7-9-11-16/h7-11,13-14,21H,5-6,12H2,1-4H3
InChIKeyHKZYPIDDJGYJBW-UHFFFAOYSA-N
XLogP5.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 174856843
4-benzyl-5-butyl-3-methyl-2-phenylphenol
CID 10359307
CID 66654402
CID 66654402
sodium;3-butyl-2-phenylphenol;hydride
CID 173461080
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
CID 123884738
2,5-dibutyl-3-phenylphenol
CID 122215941
2-butyl-3-methylphenol
CID 174788119
3-butyl-4-chloro-2-propan-2-ylphenol
CID 118092044
3-butyl-2-methyl-4-phenylphenol
CID 68552702
3-butyl-4-methyl-2-phenylaniline
CID 22762469
2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
CID 22005018

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol?
The IUPAC name of 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol (CID 150437166) is 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol.
What is the SMILES notation for 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol?
The canonical SMILES for 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol is CCCCc1c(C)cc(O)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol?
The InChIKey is HKZYPIDDJGYJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-5-6-12-17-15(4)13-18(21)20(19(17)14(2)3)16-10-8-7-9-11-16/h7-11,13-14,21H,5-6,12H2,1-4H3.
What are the key properties of 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol?
4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol has a molecular weight of 282.43 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol is sourced from PubChem (CID 150437166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).