2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol

C11H14Cl2O2 — CID 82296791

IUPAC2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(Cl)c(C(C)(C)CO)cc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-11(2,6-14)7-4-9(13)10(15-3)5-8(7)12/h4-5,14H,6H2,1-3H3
InChIKeyAJTFZXPDJLMMCS-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.27
Rot. Bonds3

About 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol

2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 82296791) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID82296791
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(Cl)c(C(C)(C)CO)cc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-11(2,6-14)7-4-9(13)10(15-3)5-8(7)12/h4-5,14H,6H2,1-3H3
InChIKeyAJTFZXPDJLMMCS-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-2-methylpropan-1-ol
CID 117395472
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropan-1-ol
CID 81413769
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-tert-butyl-5-chloro-4-methoxyphenol
CID 134599266
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol (CID 82296791) is 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol is COc1cc(Cl)c(C(C)(C)CO)cc1Cl.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is AJTFZXPDJLMMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-11(2,6-14)7-4-9(13)10(15-3)5-8(7)12/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol?
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 249.14 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 2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 82296791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).