5-chloro-2-[(2-chlorophenoxy)methyl]phenol

C13H10Cl2O2 — CID 117221050

IUPAC5-chloro-2-[(2-chlorophenoxy)methyl]phenol
SMILESOc1cc(Cl)ccc1COc1ccccc1Cl
InChIInChI=1S/C13H10Cl2O2/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h1-7,16H,8H2
InChIKeyJCVAGYYTMUFTAS-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.28
Rot. Bonds3

About 5-chloro-2-[(2-chlorophenoxy)methyl]phenol

5-chloro-2-[(2-chlorophenoxy)methyl]phenol (PubChem CID 117221050) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-chloro-2-[(2-chlorophenoxy)methyl]phenol.

Molecular Properties

Compound Name5-chloro-2-[(2-chlorophenoxy)methyl]phenol
PubChem CID117221050
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name5-chloro-2-[(2-chlorophenoxy)methyl]phenol
SMILESOc1cc(Cl)ccc1COc1ccccc1Cl
InChIInChI=1S/C13H10Cl2O2/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h1-7,16H,8H2
InChIKeyJCVAGYYTMUFTAS-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221271
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
3-[(2-chlorophenoxy)methyl]-1-benzothiophen-4-ol
CID 117170889
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
5-chloro-2-[(2,3-dichlorophenoxy)methyl]aniline
CID 55037402

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-chlorophenoxy)methyl]phenol?
The IUPAC name of 5-chloro-2-[(2-chlorophenoxy)methyl]phenol (CID 117221050) is 5-chloro-2-[(2-chlorophenoxy)methyl]phenol.
What is the SMILES notation for 5-chloro-2-[(2-chlorophenoxy)methyl]phenol?
The canonical SMILES for 5-chloro-2-[(2-chlorophenoxy)methyl]phenol is Oc1cc(Cl)ccc1COc1ccccc1Cl.
What is the InChIKey of 5-chloro-2-[(2-chlorophenoxy)methyl]phenol?
The InChIKey is JCVAGYYTMUFTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c14-10-6-5-9(12(16)7-10)8-17-13-4-2-1-3-11(13)15/h1-7,16H,8H2.
What are the key properties of 5-chloro-2-[(2-chlorophenoxy)methyl]phenol?
5-chloro-2-[(2-chlorophenoxy)methyl]phenol has a molecular weight of 269.13 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-chlorophenoxy)methyl]phenol is sourced from PubChem (CID 117221050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).