2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol

C20H28O4 — CID 137362821

IUPAC2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1ccc(O)cc1.CC(C)(C)Oc1ccccc1O
InChIInChI=1S/2C10H14O2/c1-10(2,3)12-9-6-4-8(11)5-7-9;1-10(2,3)12-9-7-5-4-6-8(9)11/h2*4-7,11H,1-3H3
InChIKeyFOAWCUKTFMCRGV-UHFFFAOYSA-N
MW332.44 g/mol
LogP5.14
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol

2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol (PubChem CID 137362821) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID137362821
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol
SMILESCC(C)(C)Oc1ccc(O)cc1.CC(C)(C)Oc1ccccc1O
InChIInChI=1S/2C10H14O2/c1-10(2,3)12-9-6-4-8(11)5-7-9;1-10(2,3)12-9-7-5-4-6-8(9)11/h2*4-7,11H,1-3H3
InChIKeyFOAWCUKTFMCRGV-UHFFFAOYSA-N
XLogP5.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
bis(4-[(2-methylpropan-2-yl)oxy]phenol);zirconium
CID 158294548
bis(4-hydroxyphenyl)-phenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium
CID 159429965
4-[(2-methylpropan-2-yl)oxy]phenol;tris(trifluoromethanesulfonic acid)
CID 161450593
2,3-bis[(2-methylpropan-2-yl)oxy]phenol
CID 22734690
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
4-(trichloromethoxy)phenol
CID 21200770
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
2-[2-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-hydroxyphenyl)propan-2-yloxy]phenol
CID 174939205
bis(4-hydroxyphenyl)-phenylsulfanium;(4-cyclopentyloxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium
CID 158702887
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
benzene-1,2-diol;4-methoxyphenol
CID 70292826

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol (CID 137362821) is 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol is CC(C)(C)Oc1ccc(O)cc1.CC(C)(C)Oc1ccccc1O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol?
The InChIKey is FOAWCUKTFMCRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H14O2/c1-10(2,3)12-9-6-4-8(11)5-7-9;1-10(2,3)12-9-7-5-4-6-8(9)11/h2*4-7,11H,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol?
2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol has a molecular weight of 332.44 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]phenol;4-[(2-methylpropan-2-yl)oxy]phenol is sourced from PubChem (CID 137362821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).