2,5-di(propan-2-yloxy)phenol

C12H18O3 — CID 57426094

IUPAC2,5-di(propan-2-yloxy)phenol
SMILESCC(C)Oc1ccc(OC(C)C)c(O)c1
InChIInChI=1S/C12H18O3/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9,13H,1-4H3
InChIKeyZVVDAXLWXZLJHA-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.97
Rot. Bonds4

About 2,5-di(propan-2-yloxy)phenol

2,5-di(propan-2-yloxy)phenol (PubChem CID 57426094) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2,5-di(propan-2-yloxy)phenol.

Molecular Properties

Compound Name2,5-di(propan-2-yloxy)phenol
PubChem CID57426094
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2,5-di(propan-2-yloxy)phenol
SMILESCC(C)Oc1ccc(OC(C)C)c(O)c1
InChIInChI=1S/C12H18O3/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9,13H,1-4H3
InChIKeyZVVDAXLWXZLJHA-UHFFFAOYSA-N
XLogP2.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
2,5-di(propan-2-yloxy)aniline
CID 18997718
ethane;4-propan-2-yloxyphenol
CID 142348653
2-(2-chloro-4-methylphenoxy)-5-propan-2-yloxyphenol;2,4-dichloro-1-(4-chloro-2-propan-2-yloxyphenoxy)benzene
CID 160882184
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
2-(4-hydroxy-3-propan-2-yloxyphenoxy)propane-1,3-diol
CID 77231109
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
CID 102213388
3-[2,4-di(propan-2-yloxy)phenyl]prop-2-enoic acid
CID 70019148
propan-2-yl 2-hydroxy-5-propan-2-yloxybenzoate
CID 82553050
2-methoxy-5-propan-2-yloxyaniline
CID 10081024

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yloxy)phenol?
The IUPAC name of 2,5-di(propan-2-yloxy)phenol (CID 57426094) is 2,5-di(propan-2-yloxy)phenol.
What is the SMILES notation for 2,5-di(propan-2-yloxy)phenol?
The canonical SMILES for 2,5-di(propan-2-yloxy)phenol is CC(C)Oc1ccc(OC(C)C)c(O)c1.
What is the InChIKey of 2,5-di(propan-2-yloxy)phenol?
The InChIKey is ZVVDAXLWXZLJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)14-10-5-6-12(11(13)7-10)15-9(3)4/h5-9,13H,1-4H3.
What are the key properties of 2,5-di(propan-2-yloxy)phenol?
2,5-di(propan-2-yloxy)phenol has a molecular weight of 210.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yloxy)phenol is sourced from PubChem (CID 57426094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).