2-chloro-1-(2-chloro-4-methylphenoxy)ethanol

C9H10Cl2O2 — CID 23046915

IUPAC2-chloro-1-(2-chloro-4-methylphenoxy)ethanol
SMILESCc1ccc(OC(O)CCl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O2/c1-6-2-3-8(7(11)4-6)13-9(12)5-10/h2-4,9,12H,5H2,1H3
InChIKeyOBFZSQRUWPDIII-UHFFFAOYSA-N
MW221.08 g/mol
LogP2.58
Rot. Bonds3

About 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol

2-chloro-1-(2-chloro-4-methylphenoxy)ethanol (PubChem CID 23046915) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol.

Molecular Properties

Compound Name2-chloro-1-(2-chloro-4-methylphenoxy)ethanol
PubChem CID23046915
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name2-chloro-1-(2-chloro-4-methylphenoxy)ethanol
SMILESCc1ccc(OC(O)CCl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O2/c1-6-2-3-8(7(11)4-6)13-9(12)5-10/h2-4,9,12H,5H2,1H3
InChIKeyOBFZSQRUWPDIII-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
3-(2-chloro-4-methylphenoxy)butanethioamide
CID 115002472
2-(2-chloro-4-methylphenoxy)pentan-3-amine
CID 62671098
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
2-(2-chloro-4-methylphenoxy)-2-pyridin-2-ylethanamine
CID 55104475
1-chloro-3-[3-chloro-4-(2,4-dimethylphenoxy)anilino]propan-2-ol
CID 168639426
(2S)-1-chloro-3-(2,5-dimethylphenoxy)propan-2-ol
CID 101343601
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961
4-(2-chloro-4-methylphenoxy)butanenitrile
CID 62669172

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol?
The IUPAC name of 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol (CID 23046915) is 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol.
What is the SMILES notation for 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol?
The canonical SMILES for 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol is Cc1ccc(OC(O)CCl)c(Cl)c1.
What is the InChIKey of 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol?
The InChIKey is OBFZSQRUWPDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-6-2-3-8(7(11)4-6)13-9(12)5-10/h2-4,9,12H,5H2,1H3.
What are the key properties of 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol?
2-chloro-1-(2-chloro-4-methylphenoxy)ethanol has a molecular weight of 221.08 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-chloro-4-methylphenoxy)ethanol is sourced from PubChem (CID 23046915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).