4-[(4-butan-2-ylphenyl)methyl]phenol

C17H20O — CID 170030483

IUPAC4-[(4-butan-2-ylphenyl)methyl]phenol
SMILESCCC(C)c1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O/c1-3-13(2)16-8-4-14(5-9-16)12-15-6-10-17(18)11-7-15/h4-11,13,18H,3,12H2,1-2H3
InChIKeyJQBFMPGIWKAKKB-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.50
Rot. Bonds4

About 4-[(4-butan-2-ylphenyl)methyl]phenol

4-[(4-butan-2-ylphenyl)methyl]phenol (PubChem CID 170030483) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(4-butan-2-ylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-butan-2-ylphenyl)methyl]phenol
PubChem CID170030483
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name4-[(4-butan-2-ylphenyl)methyl]phenol
SMILESCCC(C)c1ccc(Cc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O/c1-3-13(2)16-8-4-14(5-9-16)12-15-6-10-17(18)11-7-15/h4-11,13,18H,3,12H2,1-2H3
InChIKeyJQBFMPGIWKAKKB-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[4-(4-butan-2-ylphenoxy)phenyl]phenol
CID 131968930
1-(4-butan-2-ylphenyl)-2-methylpropan-2-ol
CID 82126479
4-butan-2-ylcyclohexan-1-ol;4-butan-2-ylphenol
CID 54408422
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
4-hexan-2-ylphenol
CID 12579179
1-butan-2-yl-4-ethylbenzene;carbanide;zirconium(3+)
CID 58665646
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
4-[[(4-hydroxyphenyl)-(4-propylphenyl)methoxy]-(4-propylphenyl)methyl]phenol
CID 22925946
4-[3-(4-hydroxyphenyl)-2-methylpentyl]phenol
CID 4546967
4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
butan-2-ylbenzene;6-butan-2-ylnaphthalen-2-ol;(4-butan-2-ylphenyl)methanol
CID 161227870

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylphenyl)methyl]phenol?
The IUPAC name of 4-[(4-butan-2-ylphenyl)methyl]phenol (CID 170030483) is 4-[(4-butan-2-ylphenyl)methyl]phenol.
What is the SMILES notation for 4-[(4-butan-2-ylphenyl)methyl]phenol?
The canonical SMILES for 4-[(4-butan-2-ylphenyl)methyl]phenol is CCC(C)c1ccc(Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-butan-2-ylphenyl)methyl]phenol?
The InChIKey is JQBFMPGIWKAKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O/c1-3-13(2)16-8-4-14(5-9-16)12-15-6-10-17(18)11-7-15/h4-11,13,18H,3,12H2,1-2H3.
What are the key properties of 4-[(4-butan-2-ylphenyl)methyl]phenol?
4-[(4-butan-2-ylphenyl)methyl]phenol has a molecular weight of 240.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-ylphenyl)methyl]phenol is sourced from PubChem (CID 170030483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).