1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol

C11H15ClO2 — CID 65277305

IUPAC1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(OCC(C)O)cc(C)c1Cl
InChIInChI=1S/C11H15ClO2/c1-7-4-10(14-6-9(3)13)5-8(2)11(7)12/h4-5,9,13H,6H2,1-3H3
InChIKeyMGARMRBTMZSFSY-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.72
Rot. Bonds3

About 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol

1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol (PubChem CID 65277305) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol
PubChem CID65277305
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol
SMILESCc1cc(OCC(C)O)cc(C)c1Cl
InChIInChI=1S/C11H15ClO2/c1-7-4-10(14-6-9(3)13)5-8(2)11(7)12/h4-5,9,13H,6H2,1-3H3
InChIKeyMGARMRBTMZSFSY-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol (CID 65277305) is 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol is Cc1cc(OCC(C)O)cc(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol?
The InChIKey is MGARMRBTMZSFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-7-4-10(14-6-9(3)13)5-8(2)11(7)12/h4-5,9,13H,6H2,1-3H3.
What are the key properties of 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol?
1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylphenoxy)propan-2-ol is sourced from PubChem (CID 65277305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).