4-tert-butyl-2-phenylmethoxyphenol

C17H20O2 — CID 18795860

IUPAC4-tert-butyl-2-phenylmethoxyphenol
SMILESCC(C)(C)c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-17(2,3)14-9-10-15(18)16(11-14)19-12-13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3
InChIKeyKMUMPFZHNZEKCQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.27
Rot. Bonds3

About 4-tert-butyl-2-phenylmethoxyphenol

4-tert-butyl-2-phenylmethoxyphenol (PubChem CID 18795860) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-tert-butyl-2-phenylmethoxyphenol.

Molecular Properties

Compound Name4-tert-butyl-2-phenylmethoxyphenol
PubChem CID18795860
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-tert-butyl-2-phenylmethoxyphenol
SMILESCC(C)(C)c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-17(2,3)14-9-10-15(18)16(11-14)19-12-13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3
InChIKeyKMUMPFZHNZEKCQ-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
2-(5-tert-butyl-2-phenylmethoxyphenyl)-2-methylpropan-1-ol
CID 59544164
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
1-(5-tert-butyl-2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894728
3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 12788212
cis-(1R,3S)-3-(4-tert-butyl-2-phenylmethoxyphenyl)cyclohexan-1-ol
CID 54057558
4-tert-butylbenzene-1,2-diol;phenol
CID 160621546
2-(2,4-ditert-butyl-6-phenylmethoxyphenyl)ethanamine
CID 68714462
4-tert-butyl-1,2-bis[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]benzene
CID 139335896
benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate
CID 165116977
2-tert-butyl-7-phenylmethoxynaphthalene
CID 146249475

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenylmethoxyphenol?
The IUPAC name of 4-tert-butyl-2-phenylmethoxyphenol (CID 18795860) is 4-tert-butyl-2-phenylmethoxyphenol.
What is the SMILES notation for 4-tert-butyl-2-phenylmethoxyphenol?
The canonical SMILES for 4-tert-butyl-2-phenylmethoxyphenol is CC(C)(C)c1ccc(O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-2-phenylmethoxyphenol?
The InChIKey is KMUMPFZHNZEKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-17(2,3)14-9-10-15(18)16(11-14)19-12-13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3.
What are the key properties of 4-tert-butyl-2-phenylmethoxyphenol?
4-tert-butyl-2-phenylmethoxyphenol has a molecular weight of 256.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenylmethoxyphenol is sourced from PubChem (CID 18795860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).