3,5-dichloro-2-propan-2-yloxyphenol

C9H10Cl2O2 — CID 82267072

IUPAC3,5-dichloro-2-propan-2-yloxyphenol
SMILESCC(C)Oc1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5,12H,1-2H3
InChIKeyHXGLWWOTICKOAE-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.49
Rot. Bonds2

About 3,5-dichloro-2-propan-2-yloxyphenol

3,5-dichloro-2-propan-2-yloxyphenol (PubChem CID 82267072) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 3,5-dichloro-2-propan-2-yloxyphenol.

Molecular Properties

Compound Name3,5-dichloro-2-propan-2-yloxyphenol
PubChem CID82267072
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name3,5-dichloro-2-propan-2-yloxyphenol
SMILESCC(C)Oc1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5,12H,1-2H3
InChIKeyHXGLWWOTICKOAE-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
CID 82267076
propan-2-yl 3,5-dichloro-2-propan-2-yloxybenzoate
CID 82552200
3,5-dichloro-2-propoxyphenol
CID 82267104
2-[4-(2,4-dichloro-6-hydroxyphenoxy)phenoxy]propanoic acid
CID 71391068
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
3,5-dichloro-2-(1-hydroxyethyl)phenol
CID 130032494
(E)-4-(3,5-dichloro-2-propan-2-yloxyphenyl)-4-oxobut-2-enoic acid
CID 82267062
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
5-chloro-2-methoxy-3-propan-2-ylphenol
CID 82265898

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-propan-2-yloxyphenol?
The IUPAC name of 3,5-dichloro-2-propan-2-yloxyphenol (CID 82267072) is 3,5-dichloro-2-propan-2-yloxyphenol.
What is the SMILES notation for 3,5-dichloro-2-propan-2-yloxyphenol?
The canonical SMILES for 3,5-dichloro-2-propan-2-yloxyphenol is CC(C)Oc1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-propan-2-yloxyphenol?
The InChIKey is HXGLWWOTICKOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-5(2)13-9-7(11)3-6(10)4-8(9)12/h3-5,12H,1-2H3.
What are the key properties of 3,5-dichloro-2-propan-2-yloxyphenol?
3,5-dichloro-2-propan-2-yloxyphenol has a molecular weight of 221.08 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-propan-2-yloxyphenol is sourced from PubChem (CID 82267072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).