2-chloro-6-(methoxymethyl)phenol

C8H9ClO2 — CID 167054619

IUPAC2-chloro-6-(methoxymethyl)phenol
SMILESCOCc1cccc(Cl)c1O
InChIInChI=1S/C8H9ClO2/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,10H,5H2,1H3
InChIKeyZPDKGRMFVIJSJK-UHFFFAOYSA-N
MW172.61 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-6-(methoxymethyl)phenol

2-chloro-6-(methoxymethyl)phenol (PubChem CID 167054619) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 2-chloro-6-(methoxymethyl)phenol.

Molecular Properties

Compound Name2-chloro-6-(methoxymethyl)phenol
PubChem CID167054619
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name2-chloro-6-(methoxymethyl)phenol
SMILESCOCc1cccc(Cl)c1O
InChIInChI=1S/C8H9ClO2/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,10H,5H2,1H3
InChIKeyZPDKGRMFVIJSJK-UHFFFAOYSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-6-methylphenol
CID 6898
2-Phenyl-6-chlorophenol
CID 61529
5-Chlorosalicyl alcohol
CID 79238
3,5-Dichlorosalicyl alcohol
CID 241196
3-(2-Chloro-6-methylphenoxy)-1,2-propanediol
CID 98050
Terrestrol B
CID 24770502
2-Chloro-6-(Methoxymethyl)Benzene-1,4-Diol
CID 24770578
Phenol, 2-chloro-6-ethyl-
CID 212558
2-Chloro-4-ethylphenol
CID 29355
(3-Chloro-4-methoxyphenyl)methanol
CID 4312004
2-Chloro-4-(2-hydroxyethyl)phenol
CID 10419647
2,4-Dichloro-6-ethylphenol
CID 212559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methoxymethyl)phenol?
The IUPAC name of 2-chloro-6-(methoxymethyl)phenol (CID 167054619) is 2-chloro-6-(methoxymethyl)phenol.
What is the SMILES notation for 2-chloro-6-(methoxymethyl)phenol?
The canonical SMILES for 2-chloro-6-(methoxymethyl)phenol is COCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-(methoxymethyl)phenol?
The InChIKey is ZPDKGRMFVIJSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,10H,5H2,1H3.
What are the key properties of 2-chloro-6-(methoxymethyl)phenol?
2-chloro-6-(methoxymethyl)phenol has a molecular weight of 172.61 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methoxymethyl)phenol is sourced from PubChem (CID 167054619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).