2-chloro-2-(3-methylphenoxy)ethanol

C9H11ClO2 — CID 70372879

IUPAC2-chloro-2-(3-methylphenoxy)ethanol
SMILESCc1cccc(OC(Cl)CO)c1
InChIInChI=1S/C9H11ClO2/c1-7-3-2-4-8(5-7)12-9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyMCIPAZRNCASNMM-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.93
Rot. Bonds3

About 2-chloro-2-(3-methylphenoxy)ethanol

2-chloro-2-(3-methylphenoxy)ethanol (PubChem CID 70372879) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 2-chloro-2-(3-methylphenoxy)ethanol.

Molecular Properties

Compound Name2-chloro-2-(3-methylphenoxy)ethanol
PubChem CID70372879
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name2-chloro-2-(3-methylphenoxy)ethanol
SMILESCc1cccc(OC(Cl)CO)c1
InChIInChI=1S/C9H11ClO2/c1-7-3-2-4-8(5-7)12-9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyMCIPAZRNCASNMM-UHFFFAOYSA-N
XLogP1.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methylphenoxy)butanedioic acid
CID 141249826
2-(3-methylphenoxy)butanoic acid
CID 4778922
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
1-amino-3-(3-methylphenoxy)butan-2-one
CID 82401994
dimethyl 2-(3-methylphenoxy)propanedioate
CID 94687292
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
CID 66177924
N-[(2S)-1-hydroxybutan-2-yl]-2-(3-methylphenoxy)propanamide
CID 104981564
5-amino-2-(3-methylphenoxy)pentanoic acid
CID 112514325
4-(methylamino)-2-(3-methylphenoxy)butanoic acid
CID 112517898
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-methylphenoxy)ethanol?
The IUPAC name of 2-chloro-2-(3-methylphenoxy)ethanol (CID 70372879) is 2-chloro-2-(3-methylphenoxy)ethanol.
What is the SMILES notation for 2-chloro-2-(3-methylphenoxy)ethanol?
The canonical SMILES for 2-chloro-2-(3-methylphenoxy)ethanol is Cc1cccc(OC(Cl)CO)c1.
What is the InChIKey of 2-chloro-2-(3-methylphenoxy)ethanol?
The InChIKey is MCIPAZRNCASNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-7-3-2-4-8(5-7)12-9(10)6-11/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-chloro-2-(3-methylphenoxy)ethanol?
2-chloro-2-(3-methylphenoxy)ethanol has a molecular weight of 186.64 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-methylphenoxy)ethanol is sourced from PubChem (CID 70372879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).