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

C11H15ClO2 — CID 145226123

IUPAC3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol
SMILESCc1cc(C)c(OCCCO)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-8-6-9(2)11(7-10(8)12)14-5-3-4-13/h6-7,13H,3-5H2,1-2H3
InChIKeyXUCNLJPPGGBNKU-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.72
Rot. Bonds4

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

3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol (PubChem CID 145226123) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol
PubChem CID145226123
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol
SMILESCc1cc(C)c(OCCCO)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-8-6-9(2)11(7-10(8)12)14-5-3-4-13/h6-7,13H,3-5H2,1-2H3
InChIKeyXUCNLJPPGGBNKU-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-chloro-4-methylphenoxy)propan-1-ol
CID 68604122
2-(4-chloro-2,5-dimethylphenoxy)ethanamine
CID 84669181
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
4-butoxy-2-chloro-5-methylaniline
CID 115555294
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
3-[(8-methyl-1,5-naphthyridin-4-yl)oxy]propan-1-ol
CID 167887918
2-(2,4,5-trichlorophenoxy)ethanol
CID 87745106
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
3-bromo-2-[(5-chloro-2,4-dimethylphenoxy)methyl]aniline
CID 121367437

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol?
The IUPAC name of 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol (CID 145226123) is 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol?
The canonical SMILES for 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol is Cc1cc(C)c(OCCCO)cc1Cl.
What is the InChIKey of 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol?
The InChIKey is XUCNLJPPGGBNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-8-6-9(2)11(7-10(8)12)14-5-3-4-13/h6-7,13H,3-5H2,1-2H3.
What are the key properties of 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol?
3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol has a molecular weight of 214.69 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dimethylphenoxy)propan-1-ol is sourced from PubChem (CID 145226123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).