(3,5-dichloro-2-propan-2-yloxyphenyl)methanol

C10H12Cl2O2 — CID 43516223

IUPAC(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C10H12Cl2O2/c1-6(2)14-10-7(5-13)3-8(11)4-9(10)12/h3-4,6,13H,5H2,1-2H3
InChIKeyHQFGMIMWJSQHDS-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.27
Rot. Bonds3

About (3,5-dichloro-2-propan-2-yloxyphenyl)methanol

(3,5-dichloro-2-propan-2-yloxyphenyl)methanol (PubChem CID 43516223) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is (3,5-dichloro-2-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
PubChem CID43516223
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C10H12Cl2O2/c1-6(2)14-10-7(5-13)3-8(11)4-9(10)12/h3-4,6,13H,5H2,1-2H3
InChIKeyHQFGMIMWJSQHDS-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
CID 43516191
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162
3,5-dichloro-2-propan-2-yloxyphenol
CID 82267072
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
CID 43516286
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43516184
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
[5-chloro-3-methoxy-2-(1-methoxypropan-2-yloxy)phenyl]methanol
CID 113438824
3,5-dichloro-N-methyl-2-propan-2-yloxyaniline
CID 82267076
[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 43516247

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-propan-2-yloxyphenyl)methanol?
The IUPAC name of (3,5-dichloro-2-propan-2-yloxyphenyl)methanol (CID 43516223) is (3,5-dichloro-2-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3,5-dichloro-2-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (3,5-dichloro-2-propan-2-yloxyphenyl)methanol is CC(C)Oc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of (3,5-dichloro-2-propan-2-yloxyphenyl)methanol?
The InChIKey is HQFGMIMWJSQHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2/c1-6(2)14-10-7(5-13)3-8(11)4-9(10)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of (3,5-dichloro-2-propan-2-yloxyphenyl)methanol?
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol has a molecular weight of 235.11 g/mol, XLogP of 3.27, 3 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-yloxyphenyl)methanol is sourced from PubChem (CID 43516223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).