2-[1-(4-tert-butylphenyl)propyl]phenol

C19H24O — CID 174617278

IUPAC2-[1-(4-tert-butylphenyl)propyl]phenol
SMILESCCC(c1ccc(C(C)(C)C)cc1)c1ccccc1O
InChIInChI=1S/C19H24O/c1-5-16(17-8-6-7-9-18(17)20)14-10-12-15(13-11-14)19(2,3)4/h6-13,16,20H,5H2,1-4H3
InChIKeyQJESQYQYWMBIHD-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.23
Rot. Bonds3

About 2-[1-(4-tert-butylphenyl)propyl]phenol

2-[1-(4-tert-butylphenyl)propyl]phenol (PubChem CID 174617278) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)propyl]phenol.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)propyl]phenol
PubChem CID174617278
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name2-[1-(4-tert-butylphenyl)propyl]phenol
SMILESCCC(c1ccc(C(C)(C)C)cc1)c1ccccc1O
InChIInChI=1S/C19H24O/c1-5-16(17-8-6-7-9-18(17)20)14-10-12-15(13-11-14)19(2,3)4/h6-13,16,20H,5H2,1-4H3
InChIKeyQJESQYQYWMBIHD-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
2-(1-phenylpentyl)phenol
CID 19601156
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-methyl-6-(1-phenylpropyl)phenol
CID 123572881
2-(1-phenylnonyl)phenol
CID 67177643
2-[(1R)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
CID 793127
2-[(1S)-3-[[(2R)-butan-2-yl]amino]-1-phenylpropyl]phenol
CID 793123
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)propyl]phenol?
The IUPAC name of 2-[1-(4-tert-butylphenyl)propyl]phenol (CID 174617278) is 2-[1-(4-tert-butylphenyl)propyl]phenol.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)propyl]phenol?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)propyl]phenol is CCC(c1ccc(C(C)(C)C)cc1)c1ccccc1O.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)propyl]phenol?
The InChIKey is QJESQYQYWMBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-5-16(17-8-6-7-9-18(17)20)14-10-12-15(13-11-14)19(2,3)4/h6-13,16,20H,5H2,1-4H3.
What are the key properties of 2-[1-(4-tert-butylphenyl)propyl]phenol?
2-[1-(4-tert-butylphenyl)propyl]phenol has a molecular weight of 268.40 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)propyl]phenol is sourced from PubChem (CID 174617278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).