1-(2,4-dichlorophenoxy)propan-1-ol

C9H10Cl2O2 — CID 3017057

IUPAC1-(2,4-dichlorophenoxy)propan-1-ol
SMILESCCC(O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5,9,12H,2H2,1H3
InChIKeyYPBXFEZZIARTHS-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.10
Rot. Bonds3

About 1-(2,4-dichlorophenoxy)propan-1-ol

1-(2,4-dichlorophenoxy)propan-1-ol (PubChem CID 3017057) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)propan-1-ol
PubChem CID3017057
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name1-(2,4-dichlorophenoxy)propan-1-ol
SMILESCCC(O)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5,9,12H,2H2,1H3
InChIKeyYPBXFEZZIARTHS-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(2,4-dichlorophenoxy)-3,3-dimethylbutan-2-ol
CID 13326121
dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
CID 88780474
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
3-(2,4-dichlorophenoxy)pentane-1-sulfonic acid
CID 88683157
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-chloro-1-(2-chloro-4-methylphenoxy)ethanol
CID 23046915
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
CID 70463022
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)propan-1-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)propan-1-ol (CID 3017057) is 1-(2,4-dichlorophenoxy)propan-1-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)propan-1-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)propan-1-ol is CCC(O)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)propan-1-ol?
The InChIKey is YPBXFEZZIARTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-2-9(12)13-8-4-3-6(10)5-7(8)11/h3-5,9,12H,2H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)propan-1-ol?
1-(2,4-dichlorophenoxy)propan-1-ol has a molecular weight of 221.08 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)propan-1-ol is sourced from PubChem (CID 3017057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).