(2,6-dichlorophenyl)-ethoxymethanol

C9H10Cl2O2 — CID 22954642

IUPAC(2,6-dichlorophenyl)-ethoxymethanol
SMILESCCOC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,9,12H,2H2,1H3
InChIKeyZNYZPKSMSYWIJI-UHFFFAOYSA-N
MW221.08 g/mol
LogP3.02
Rot. Bonds3

About (2,6-dichlorophenyl)-ethoxymethanol

(2,6-dichlorophenyl)-ethoxymethanol (PubChem CID 22954642) has the molecular formula C9H10Cl2O2 and a molecular weight of 221.08 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-ethoxymethanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-ethoxymethanol
PubChem CID22954642
Molecular FormulaC9H10Cl2O2
Molecular Weight221.08 g/mol
Exact Mass220.01
IUPAC Name(2,6-dichlorophenyl)-ethoxymethanol
SMILESCCOC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,9,12H,2H2,1H3
InChIKeyZNYZPKSMSYWIJI-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
(2,6-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 61100563
ethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]pentanoate
CID 83043683
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
ethyl 3-(2,6-dichlorophenyl)butanoate
CID 145081083
1,3-dichloro-2-(2,2-diethoxyethoxy)benzene
CID 2781949
1-chloro-2-(1-ethoxyethyl)benzene
CID 53420297
1-(2,3-dichlorophenyl)-3-ethoxypentan-2-ol
CID 107308264
ethyl N-[(2,6-dichlorophenyl)-(ethoxycarbonylamino)methyl]carbamate
CID 124926176
(1R)-1-(2,6-dichlorophenyl)hexane-1,2-diol
CID 66633917
2-(aminomethyl)-1-(2,6-dichlorophenyl)butan-1-ol
CID 65188015

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-ethoxymethanol?
The IUPAC name of (2,6-dichlorophenyl)-ethoxymethanol (CID 22954642) is (2,6-dichlorophenyl)-ethoxymethanol.
What is the SMILES notation for (2,6-dichlorophenyl)-ethoxymethanol?
The canonical SMILES for (2,6-dichlorophenyl)-ethoxymethanol is CCOC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-ethoxymethanol?
The InChIKey is ZNYZPKSMSYWIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5,9,12H,2H2,1H3.
What are the key properties of (2,6-dichlorophenyl)-ethoxymethanol?
(2,6-dichlorophenyl)-ethoxymethanol has a molecular weight of 221.08 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-ethoxymethanol is sourced from PubChem (CID 22954642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).