2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol

C11H14Cl2O2 — CID 540635

IUPAC2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(Cl)cc(C(C)(C)O)cc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-11(2,14)7-4-9(12)8(6-15-3)10(13)5-7/h4-5,14H,6H2,1-3H3
InChIKeyAFLWUSDXAJZZLQ-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.37
Rot. Bonds3

About 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol

2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 540635) has the molecular formula C11H14Cl2O2 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID540635
Molecular FormulaC11H14Cl2O2
Molecular Weight249.14 g/mol
Exact Mass248.04
IUPAC Name2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1c(Cl)cc(C(C)(C)O)cc1Cl
InChIInChI=1S/C11H14Cl2O2/c1-11(2,14)7-4-9(12)8(6-15-3)10(13)5-7/h4-5,14H,6H2,1-3H3
InChIKeyAFLWUSDXAJZZLQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117306056
2-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117380036
2-(3,5-dichloro-4-fluorophenyl)propan-2-ol
CID 117318974
2-[3,5-dichloro-4-[2-[2-[2,6-dichloro-4-(2-hydroxypropan-2-yl)phenyl]-1-phenylethoxy]-2-phenylethyl]phenyl]propan-2-ol
CID 19825415
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
CID 117308733
[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]methanol
CID 117318845
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
2-(3-chloro-5-cyclopentyl-4-methoxyphenyl)propan-2-ol
CID 117425608
2-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117389314
N-[[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117313592

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol (CID 540635) is 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol is COCc1c(Cl)cc(C(C)(C)O)cc1Cl.
What is the InChIKey of 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is AFLWUSDXAJZZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O2/c1-11(2,14)7-4-9(12)8(6-15-3)10(13)5-7/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol?
2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 249.14 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 540635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).